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

Systemtic Name: 5-[[6-azanylidene-4-[2-[5-azanylidene-6-methyl-4-[(8-oxidanyl-6-sulfo-naphthalen-1-yl)carbamoyl]cyclohexa-1,3-dien-1-yl]-2-oxidanylidene-ethanoyl]-5-methyl-cyclohexa-1,3-dien-1-yl]carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-5-[[4-[2-[4-[(8-hydroxy-6-sulfo-1-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: 4-hydroxy-5-[[[4-[2-[4-[[(8-hydroxy-6-sulfo-1-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: 4-hydroxy-5-[[4-[2-[4-[(8-hydroxy-6-sulfonaphthalen-1-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: 4-hydroxy-5-[[4-[2-[4-[(8-hydroxy-6-sulfo-1-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=CC=CC3=CC(=CC(=C32)O)S(=O)(=O)O)C(=O)C(=O)C4=CC=C(C(=N)C4C)C(=O)NC5=CC=CC6=CC(=CC(=C65)O)S(=O)(=O)O

Isomeric SMILES

CC1C(=CC=C(C1=N)C(=O)NC2=CC=CC3=CC(=CC(=C32)O)S(=O)(=O)O)C(=O)C(=O)C4=CC=C(C(=N)C4C)C(=O)NC5=CC=CC6=CC(=CC(=C65)O)S(=O)(=O)O

InChI

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