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

Systemtic Name: 3-[[6-azanylidene-5-[2-[6-azanylidene-4-methyl-5-[(1-oxidanyl-3-sulfo-naphthalen-2-yl)carbamoyl]cyclohexa-2,4-dien-1-yl]-2-oxidanylidene-ethanoyl]-2-methyl-cyclohexa-1,3-dien-1-yl]carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-3-[[5-[2-[5-[(1-hydroxy-3-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-2-sulfonic acid CAS Name: 4-hydroxy-3-[[[5-[2-[5-[[(1-hydroxy-3-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]-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-3-[[5-[2-[5-[(1-hydroxy-3-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-2-sulfonic acid Traditional Name: 4-hydroxy-3-[[5-[2-[5-[(1-hydroxy-3-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-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=C(C4=CC=CC=C4C=C3S(=O)(=O)O)O)C)C(=O)NC5=C(C6=CC=CC=C6C=C5S(=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(C4=CC=CC=C4C=C3S(=O)(=O)O)O)C)C(=O)NC5=C(C6=CC=CC=C6C=C5S(=O)(=O)O)O

InChI

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