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

Systemtic Name: 5-[[6-azanylidene-5-[2-[6-azanylidene-4-methyl-5-[(2-oxidanyl-5-sulfo-naphthalen-1-yl)carbamoyl]cyclohexa-2,4-dien-1-yl]-2-oxidanylidene-ethanoyl]-2-methyl-cyclohexa-1,3-dien-1-yl]carbonylamino]-6-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 6-hydroxy-5-[[5-[2-[5-[(2-hydroxy-5-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-1-sulfonic acid CAS Name: 6-hydroxy-5-[[[5-[2-[5-[[(2-hydroxy-5-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]-1-naphthalenesulfonic acid IUPAC Name: 6-hydroxy-5-[[5-[2-[5-[(2-hydroxy-5-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-1-sulfonic acid Traditional Name: 6-hydroxy-5-[[5-[2-[5-[(2-hydroxy-5-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-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=C(C=CC4=C3C=CC=C4S(=O)(=O)O)O)C)C(=O)NC5=C(C=CC6=C5C=CC=C6S(=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=CC=C4S(=O)(=O)O)O)C)C(=O)NC5=C(C=CC6=C5C=CC=C6S(=O)(=O)O)O

InChI

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