6537-66-2 Purity
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Specification
The molecular formula of Sirius Supra Red Violet B is C35H26N8Na4O17S4.
Sirius Supra Red Violet B was created on 2019-01-25 and modified on 2023-12-23 in PubChem.
The IUPAC name of Sirius Supra Red Violet B is tetrasodium;6-amino-5-[[4-[[4-[(2-amino-8-hydroxy-6-sulfonatonaphthalen-1-yl)diazenyl]-2-methoxy-5-sulfonatophenyl]carbamoylamino]-5-methoxy-2-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate.
The InChI code for Sirius Supra Red Violet B is InChI=1S/C35H30N8O17S4.4Na/c1-59-27-11-23(40-42-33-19(36)5-3-15-7-17(61(47,48)49)9-25(44)31(15)33)29(63(53,54)55)13-21(27)38-35(46)39-22-14-30(64(56,57)58)24(12-28(22)60-2)41-43-34-20(37)6-4-16-8-18(62(50,51)52)10-26(45)32(16)34;;;;/h3-14,44-45H,36-37H2,1-2H3,(H2,38,39,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;/q;4*+1/p-4.
The molecular weight of Sirius Supra Red Violet B is 1050.9 g/mol.
There are 6 hydrogen bond donor counts in Sirius Supra Red Violet B.
There are 23 hydrogen bond acceptor counts in Sirius Supra Red Violet B.
The exact mass of Sirius Supra Red Violet B is 1049.9889532 g/mol.
There are 8 rotatable bond counts in Sirius Supra Red Violet B.
The canonical SMILES representation of Sirius Supra Red Violet B is COC1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2OC)N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)[O-])N )S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=C(C=CC6=CC(=CC(=C65)O)S(=O)(=O)[O-])N.[Na+].[Na+].[Na+].[Na+].