7-[[6-azanylidene-4-[2-[5-azanylidene-6-methyl-4-[(1-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoyl]cyclohexa-1,3-dien-1-yl]-2-oxidanylidene-ethanoyl]-5-methyl-cyclohexa-1,3-dien-1-yl]carbonylamino]-8-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-[[6-azanylidene-4-[2-[5-azanylidene-6-methyl-4-[(1-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoyl]cyclohexa-1,3-dien-1-yl]-2-oxidanylidene-ethanoyl]-5-methyl-cyclohexa-1,3-dien-1-yl]carbonylamino]-8-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 8-hydroxy-7-[[4-[2-[4-[(1-hydroxy-7-sulfo-2-naphthyl)carbamoyl]-5-imino-6-methyl-cyclohexa-1,3-dien-1-yl]-2-oxo-acetyl]-6-imino-5-methyl-cyclohexa-1,3-diene-1-carbonyl]amino]naphthalene-2-sulfonic acid CAS Name: 8-hydroxy-7-[[[4-[2-[4-[[(1-hydroxy-7-sulfo-2-naphthalenyl)amino]-oxomethyl]-5-imino-6-methyl-1-cyclohexa-1,3-dienyl]-1,2-dioxoethyl]-6-imino-5-methyl-1-cyclohexa-1,3-dienyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 8-hydroxy-7-[[4-[2-[4-[(1-hydroxy-7-sulfonaphthalen-2-yl)carbamoyl]-5-imino-6-methylcyclohexa-1,3-dien-1-yl]-2-oxoacetyl]-6-imino-5-methylcyclohexa-1,3-diene-1-carbonyl]amino]naphthalene-2-sulfonic acid Traditional Name: 8-hydroxy-7-[[4-[2-[4-[(1-hydroxy-7-sulfo-2-naphthyl)carbamoyl]-5-imino-6-methyl-cyclohexa-1,3-dien-1-yl]-2-keto-acetyl]-6-imino-5-methyl-cyclohexa-1,3-diene-1-carbonyl]amino]naphthalene-2-sulfonic acid Formula: C38H30N4O12S2 MolecularWeight: 798.7944

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CC=C(C1=N)C(=O)NC2=C(C3=C(C=CC(=C3)S(=O)(=O)O)C=C2)O)C(=O)C(=O)C4=CC=C(C(=N)C4C)C(=O)NC5=C(C6=C(C=CC(=C6)S(=O)(=O)O)C=C5)O

Isomeric SMILES

CC1C(=CC=C(C1=N)C(=O)NC2=C(C3=C(C=CC(=C3)S(=O)(=O)O)C=C2)O)C(=O)C(=O)C4=CC=C(C(=N)C4C)C(=O)NC5=C(C6=C(C=CC(=C6)S(=O)(=O)O)C=C5)O

InChI

InChI=1S/C38H30N4O12S2/c1-17-23(9-11-25(31(17)39)37(47)41-29-13-5-19-3-7-21(55(49,50)51)15-27(19)33(29)43)35(45)36(46)24-10-12-26(32(40)18(24)2)38(48)42-30-14-6-20-4-8-22(56(52,53)54)16-28(20)34(30)44/h3-18,39-40,43-44H,1-2H3,(H,41,47)(H,42,48)(H,49,50,51)(H,52,53,54)