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

Systemtic Name: 3-[[6-azanylidene-4-[2-[5-azanylidene-6-methyl-4-[(6-oxidanyl-4-sulfo-naphthalen-2-yl)carbamoyl]cyclohexa-1,3-dien-1-yl]-2-oxidanylidene-ethanoyl]-5-methyl-cyclohexa-1,3-dien-1-yl]carbonylamino]-7-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 7-hydroxy-3-[[4-[2-[4-[(6-hydroxy-4-sulfo-2-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-1-sulfonic acid CAS Name: 7-hydroxy-3-[[[4-[2-[4-[[(6-hydroxy-4-sulfo-2-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]-1-naphthalenesulfonic acid IUPAC Name: 7-hydroxy-3-[[4-[2-[4-[(6-hydroxy-4-sulfonaphthalen-2-yl)carbamoyl]-5-imino-6-methylcyclohexa-1,3-dien-1-yl]-2-oxoacetyl]-6-imino-5-methylcyclohexa-1,3-diene-1-carbonyl]amino]naphthalene-1-sulfonic acid Traditional Name: 7-hydroxy-3-[[4-[2-[4-[(6-hydroxy-4-sulfo-2-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-1-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(=C3C=C(C=CC3=C2)O)S(=O)(=O)O)C(=O)C(=O)C4=CC=C(C(=N)C4C)C(=O)NC5=CC(=C6C=C(C=CC6=C5)O)S(=O)(=O)O

Isomeric SMILES

CC1C(=CC=C(C1=N)C(=O)NC2=CC(=C3C=C(C=CC3=C2)O)S(=O)(=O)O)C(=O)C(=O)C4=CC=C(C(=N)C4C)C(=O)NC5=CC(=C6C=C(C=CC6=C5)O)S(=O)(=O)O

InChI

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