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

Systemtic Name: 3-[[6-azanylidene-5-[2-[6-azanylidene-4-methyl-5-[(7-oxidanyl-3-sulfo-naphthalen-2-yl)carbamoyl]cyclohexa-2,4-dien-1-yl]-2-oxidanylidene-ethanoyl]-2-methyl-cyclohexa-1,3-dien-1-yl]carbonylamino]-6-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 6-hydroxy-3-[[5-[2-[5-[(7-hydroxy-3-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-2-sulfonic acid CAS Name: 6-hydroxy-3-[[[5-[2-[5-[[(7-hydroxy-3-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]-2-naphthalenesulfonic acid IUPAC Name: 6-hydroxy-3-[[5-[2-[5-[(7-hydroxy-3-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-2-sulfonic acid Traditional Name: 6-hydroxy-3-[[5-[2-[5-[(7-hydroxy-3-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-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=C4C=CC(=CC4=C3)O)S(=O)(=O)O)C)C(=O)NC5=C(C=C6C=CC(=CC6=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=C(C=C4C=CC(=CC4=C3)O)S(=O)(=O)O)C)C(=O)NC5=C(C=C6C=CC(=CC6=C5)O)S(=O)(=O)O

InChI

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