7-[[6-azanylidene-5-[2-[6-azanylidene-4-methyl-5-[(1-oxidanyl-8-sulfo-naphthalen-2-yl)carbamoyl]cyclohexa-2,4-dien-1-yl]-2-oxidanylidene-ethanoyl]-2-methyl-cyclohexa-1,3-dien-1-yl]carbonylamino]-8-oxidanyl-naphthalene-1-sulfonic acid

Systemtic Name: 7-[[6-azanylidene-5-[2-[6-azanylidene-4-methyl-5-[(1-oxidanyl-8-sulfo-naphthalen-2-yl)carbamoyl]cyclohexa-2,4-dien-1-yl]-2-oxidanylidene-ethanoyl]-2-methyl-cyclohexa-1,3-dien-1-yl]carbonylamino]-8-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 8-hydroxy-7-[[5-[2-[5-[(1-hydroxy-8-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-1-sulfonic acid CAS Name: 8-hydroxy-7-[[[5-[2-[5-[[(1-hydroxy-8-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]-1-naphthalenesulfonic acid IUPAC Name: 8-hydroxy-7-[[5-[2-[5-[(1-hydroxy-8-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-1-sulfonic acid Traditional Name: 8-hydroxy-7-[[5-[2-[5-[(1-hydroxy-8-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-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(C4=C(C=CC=C4S(=O)(=O)O)C=C3)O)C)C(=O)NC5=C(C6=C(C=CC=C6S(=O)(=O)O)C=C5)O

Isomeric SMILES

CC1=C(C(=N)C(C=C1)C(=O)C(=O)C2C=CC(=C(C2=N)C(=O)NC3=C(C4=C(C=CC=C4S(=O)(=O)O)C=C3)O)C)C(=O)NC5=C(C6=C(C=CC=C6S(=O)(=O)O)C=C5)O

InChI

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