1H-Pyrazole-3-carboxylic acid,1-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-3-sulfophenyl]-4,5-dihydro-5-oxo-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-,3-methyl ester,sod

The molecular formula is C33H23N6Na3O17S4.

Some synonyms include 94157-78-5 and trisodium;1-amino-4-[4-[3-methoxycarbonyl-5-oxo-4-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-4H-pyrazol-1-yl]-2-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate.

The molecular weight is 972.8 g/mol.

The IUPAC name is trisodium;1-amino-4-[4-[3-methoxycarbonyl-5-oxo-4-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-4H-pyrazol-1-yl]-2-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate.

The Canonical SMILES is COC(=O)C1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)[O-])C3=CC(=C(C=C3)NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].

The InChIKey is CAYSUASNOLUUNY-UHFFFAOYSA-K.

There are 2 hydrogen bond donor counts.

There are 22 hydrogen bond acceptor counts.

The topological polar surface area is 404 Ų.

There are 11 rotatable bond counts.