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

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

Click to see the large picture

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=CC=CC4=C3C(=C(C=C4)S(=O)(=O)O)O)C)C(=O)NC5=CC=CC6=C5C(=C(C=C6)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=CC=CC4=C3C(=C(C=C4)S(=O)(=O)O)O)C)C(=O)NC5=CC=CC6=C5C(=C(C=C6)S(=O)(=O)O)O

InChI

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