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

Systemtic Name: 8-[[6-azanylidene-5-[2-[6-azanylidene-4-methyl-5-[(2-oxidanyl-7-sulfo-naphthalen-1-yl)carbamoyl]cyclohexa-2,4-dien-1-yl]-2-oxidanylidene-ethanoyl]-2-methyl-cyclohexa-1,3-dien-1-yl]carbonylamino]-7-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 7-hydroxy-8-[[5-[2-[5-[(2-hydroxy-7-sulfo-1-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-2-sulfonic acid CAS Name: 7-hydroxy-8-[[[5-[2-[5-[[(2-hydroxy-7-sulfo-1-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]-2-naphthalenesulfonic acid IUPAC Name: 7-hydroxy-8-[[5-[2-[5-[(2-hydroxy-7-sulfonaphthalen-1-yl)carbamoyl]-6-imino-4-methylcyclohexa-2,4-dien-1-yl]-2-oxoacetyl]-6-imino-2-methylcyclohexa-1,3-diene-1-carbonyl]amino]naphthalene-2-sulfonic acid Traditional Name: 7-hydroxy-8-[[5-[2-[5-[(2-hydroxy-7-sulfo-1-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-2-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=C(C=CC4=C3C=C(C=C4)S(=O)(=O)O)O)C)C(=O)NC5=C(C=CC6=C5C=C(C=C6)S(=O)(=O)O)O

Isomeric SMILES

CC1=C(C(=N)C(C=C1)C(=O)C(=O)C2C=CC(=C(C2=N)C(=O)NC3=C(C=CC4=C3C=C(C=C4)S(=O)(=O)O)O)C)C(=O)NC5=C(C=CC6=C5C=C(C=C6)S(=O)(=O)O)O

InChI

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