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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=N)C(C=C1)C(=O)C(=O)C2C=CC(=C(C2=N)C(=O)NC3=CC4=C(C=CC(=C4C=C3)O)S(=O)(=O)O)C)C(=O)NC5=CC6=C(C=CC(=C6C=C5)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=N)C(C=C1)C(=O)C(=O)C2C=CC(=C(C2=N)C(=O)NC3=CC4=C(C=CC(=C4C=C3)O)S(=O)(=O)O)C)C(=O)NC5=CC6=C(C=CC(=C6C=C5)O)S(=O)(=O)O

InChI

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