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

Systemtic Name: 4-[[6-azanylidene-4-[2-[5-azanylidene-6-methyl-4-[(4-oxidanyl-3-sulfo-naphthalen-1-yl)carbamoyl]cyclohexa-1,3-dien-1-yl]-2-oxidanylidene-ethanoyl]-5-methyl-cyclohexa-1,3-dien-1-yl]carbonylamino]-1-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 1-hydroxy-4-[[4-[2-[4-[(4-hydroxy-3-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: 1-hydroxy-4-[[[4-[2-[4-[[(4-hydroxy-3-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: 1-hydroxy-4-[[4-[2-[4-[(4-hydroxy-3-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: 1-hydroxy-4-[[4-[2-[4-[(4-hydroxy-3-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(=C(C3=CC=CC=C32)O)S(=O)(=O)O)C(=O)C(=O)C4=CC=C(C(=N)C4C)C(=O)NC5=CC(=C(C6=CC=CC=C65)O)S(=O)(=O)O

Isomeric SMILES

CC1C(=CC=C(C1=N)C(=O)NC2=CC(=C(C3=CC=CC=C32)O)S(=O)(=O)O)C(=O)C(=O)C4=CC=C(C(=N)C4C)C(=O)NC5=CC(=C(C6=CC=CC=C65)O)S(=O)(=O)O

InChI

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