2-[2-[1-oxidanylidene-6-[[5-oxidanylidene-6-[(2-oxidanyl-5-sulfo-phenyl)hydrazinylidene]-7-sulfo-naphthalen-2-yl]carbamoylamino]-3-sulfo-naphthalen-2-ylidene]hydrazinyl]benzoic acid

Systemtic Name: 2-[2-[1-oxidanylidene-6-[[5-oxidanylidene-6-[(2-oxidanyl-5-sulfo-phenyl)hydrazinylidene]-7-sulfo-naphthalen-2-yl]carbamoylamino]-3-sulfo-naphthalen-2-ylidene]hydrazinyl]benzoic acid Openeye Name: 2-[2-[6-[[6-[(2-hydroxy-5-sulfo-phenyl)hydrazono]-5-oxo-7-sulfo-2-naphthyl]carbamoylamino]-1-oxo-3-sulfo-2-naphthylidene]hydrazino]benzoic acid CAS Name: 2-[2-[6-[[[[6-[(2-hydroxy-5-sulfophenyl)hydrazinylidene]-5-oxo-7-sulfo-2-naphthalenyl]amino]-oxomethyl]amino]-1-oxo-3-sulfo-2-naphthalenylidene]hydrazinyl]benzoic acid IUPAC Name: 2-[2-[6-[[6-[(2-hydroxy-5-sulfophenyl)hydrazinylidene]-5-oxo-7-sulfonaphthalen-2-yl]carbamoylamino]-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinyl]benzoic acid Traditional Name: 2-[N'-[6-[[6-[(2-hydroxy-5-sulfo-phenyl)hydrazono]-5-keto-7-sulfo-2-naphthyl]carbamoylamino]-1-keto-3-sulfo-2-naphthylidene]hydrazino]benzoic acid Formula: C34H24N6O15S3 MolecularWeight: 852.78056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=C(C=C4)C(=O)C(=NNC6=C(C=CC(=C6)S(=O)(=O)O)O)C(=C5)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=C(C=C4)C(=O)C(=NNC6=C(C=CC(=C6)S(=O)(=O)O)O)C(=C5)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C34H24N6O15S3/c41-26-10-7-20(56(47,48)49)15-25(26)38-40-30-28(58(53,54)55)14-17-12-19(6-9-22(17)32(30)43)36-34(46)35-18-5-8-21-16(11-18)13-27(57(50,51)52)29(31(21)42)39-37-24-4-2-1-3-23(24)33(44)45/h1-15,37-38,41H,(H,44,45)(H2,35,36,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)