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

Systemtic Name: 4-[[6-azanylidene-5-[2-[6-azanylidene-4-methyl-5-[(2-oxidanyl-3-sulfo-naphthalen-1-yl)carbamoyl]cyclohexa-2,4-dien-1-yl]-2-oxidanylidene-ethanoyl]-2-methyl-cyclohexa-1,3-dien-1-yl]carbonylamino]-3-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 3-hydroxy-4-[[5-[2-[5-[(2-hydroxy-3-sulfo-1-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-2-sulfonic acid CAS Name: 3-hydroxy-4-[[[5-[2-[5-[[(2-hydroxy-3-sulfo-1-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]-2-naphthalenesulfonic acid IUPAC Name: 3-hydroxy-4-[[5-[2-[5-[(2-hydroxy-3-sulfonaphthalen-1-yl)carbamoyl]-6-imino-4-methylcyclohexa-2,4-dien-1-yl]-2-oxoacetyl]-6-imino-2-methylcyclohexa-1,3-diene-1-carbonyl]amino]naphthalene-2-sulfonic acid Traditional Name: 3-hydroxy-4-[[5-[2-[5-[(2-hydroxy-3-sulfo-1-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-2-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(C(=CC4=CC=CC=C43)S(=O)(=O)O)O)C)C(=O)NC5=C(C(=CC6=CC=CC=C65)S(=O)(=O)O)O

Isomeric SMILES

CC1=C(C(=N)C(C=C1)C(=O)C(=O)C2C=CC(=C(C2=N)C(=O)NC3=C(C(=CC4=CC=CC=C43)S(=O)(=O)O)O)C)C(=O)NC5=C(C(=CC6=CC=CC=C65)S(=O)(=O)O)O

InChI

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