8-[[6-azanylidene-4-[2-[5-azanylidene-6-methyl-4-[(2-oxidanyl-8-sulfo-naphthalen-1-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: 8-[[6-azanylidene-4-[2-[5-azanylidene-6-methyl-4-[(2-oxidanyl-8-sulfo-naphthalen-1-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-8-[[4-[2-[4-[(2-hydroxy-8-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-1-sulfonic acid CAS Name: 7-hydroxy-8-[[[4-[2-[4-[[(2-hydroxy-8-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]-1-naphthalenesulfonic acid IUPAC Name: 7-hydroxy-8-[[4-[2-[4-[(2-hydroxy-8-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-1-sulfonic acid Traditional Name: 7-hydroxy-8-[[4-[2-[4-[(2-hydroxy-8-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-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=C(C=CC3=C2C(=CC=C3)S(=O)(=O)O)O)C(=O)C(=O)C4=CC=C(C(=N)C4C)C(=O)NC5=C(C=CC6=C5C(=CC=C6)S(=O)(=O)O)O

Isomeric SMILES

CC1C(=CC=C(C1=N)C(=O)NC2=C(C=CC3=C2C(=CC=C3)S(=O)(=O)O)O)C(=O)C(=O)C4=CC=C(C(=N)C4C)C(=O)NC5=C(C=CC6=C5C(=CC=C6)S(=O)(=O)O)O

InChI

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