8-[[6-azanylidene-5-[2-[6-azanylidene-4-methyl-5-[(4-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]-5-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 8-[[6-azanylidene-5-[2-[6-azanylidene-4-methyl-5-[(4-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]-5-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 5-hydroxy-8-[[5-[2-[5-[(4-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: 5-hydroxy-8-[[[5-[2-[5-[[(4-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: 5-hydroxy-8-[[5-[2-[5-[(4-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: 5-hydroxy-8-[[5-[2-[5-[(4-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=C4C=C(C=CC4=C(C=C3)O)S(=O)(=O)O)C)C(=O)NC5=C6C=C(C=CC6=C(C=C5)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=N)C(C=C1)C(=O)C(=O)C2C=CC(=C(C2=N)C(=O)NC3=C4C=C(C=CC4=C(C=C3)O)S(=O)(=O)O)C)C(=O)NC5=C6C=C(C=CC6=C(C=C5)O)S(=O)(=O)O

InChI

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