2-Anthracenesulfonic acid,1-amino-4-[[3-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-,potassium

CAS

94157-80-9

Catalog Number

ACM94157809

Category

Other Products

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

What is the chemical formula of 2-Anthracenesulfonic acid,1-amino-4-[[3-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-,potassium?

The chemical formula is C68H54Cl2K3N14Na3O28S8.

What is the molecular weight of 2-Anthracenesulfonic acid,1-amino-4-[[3-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-,potassium?

The molecular weight is 2028.9 g/mol.

What is the IUPAC name of 2-Anthracenesulfonic acid,1-amino-4-[[3-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-,potassium?

The IUPAC name is tripotassium;trisodium;1-amino-4-[3-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate.

What is the InChI of 2-Anthracenesulfonic acid,1-amino-4-[[3-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-,potassium?

The InChI is InChI=1S/2C34H30ClN7O14S4.3K.3Na/c2*1-15-27(38-22-14-23(58(47,48)49)26(36)25-24(22)29(43)20-6-4-5-7-21(20)30(25)44)16(2)31(59(50,51)52)17(3)28(15)39-34-41-32(35)40-33(42-34)37-18-8-10-19(11-9-18)57(45,46)13-12-56-60(53,54)55;;;;;;/h2*4-11,14,38H,12-13,36H2,1-3H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,37,39,40,41,42);;;;;;/q;;6*+1/p-6.

What is the canonical SMILES of 2-Anthracenesulfonic acid,1-amino-4-[[3-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-,potassium?

The canonical SMILES is CC1=C(C(=C(C(=C1NC2=NC(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-])Cl)C)S(=O)(=O)[O-])C)NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-].CC1=C(C(=C(C(=C1NC2=NC(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-])Cl)C)S(=O)(=O)[O-])C)NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[K+].[K+].[K+].

What is the hydrogen bond donor count of 2-Anthracenesulfonic acid,1-amino-4-[[3-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-,potassium?

The hydrogen bond donor count is 8.

What is the hydrogen bond acceptor count of 2-Anthracenesulfonic acid,1-amino-4-[[3-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-,potassium?

The hydrogen bond acceptor count is 42.

What is the rotatable bond count of 2-Anthracenesulfonic acid,1-amino-4-[[3-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-,potassium?

The rotatable bond count is 20.

What is the exact mass of 2-Anthracenesulfonic acid,1-amino-4-[[3-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-,potassium?

The exact mass is 2025.8978992 g/mol.

What is the topological polar surface area of 2-Anthracenesulfonic acid,1-amino-4-[[3-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-,potassium?

The topological polar surface area is 767 ?2.