6-[[6-azanylidene-5-[2-[6-azanylidene-4-methyl-5-[(1-oxidanyl-6-sulfo-naphthalen-2-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: 6-[[6-azanylidene-5-[2-[6-azanylidene-4-methyl-5-[(1-oxidanyl-6-sulfo-naphthalen-2-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-6-[[5-[2-[5-[(1-hydroxy-6-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: 5-hydroxy-6-[[[5-[2-[5-[[(1-hydroxy-6-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: 5-hydroxy-6-[[5-[2-[5-[(1-hydroxy-6-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: 5-hydroxy-6-[[5-[2-[5-[(1-hydroxy-6-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=C(C=C3)C=C(C=C4)S(=O)(=O)O)O)C)C(=O)NC5=C(C6=C(C=C5)C=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=C(C4=C(C=C3)C=C(C=C4)S(=O)(=O)O)O)C)C(=O)NC5=C(C6=C(C=C5)C=C(C=C6)S(=O)(=O)O)O

InChI

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