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

Systemtic Name: 5-[[6-azanylidene-4-[2-[5-azanylidene-6-methyl-4-[(5-oxidanyl-6-sulfo-naphthalen-1-yl)carbamoyl]cyclohexa-1,3-dien-1-yl]-2-oxidanylidene-ethanoyl]-5-methyl-cyclohexa-1,3-dien-1-yl]carbonylamino]-1-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 1-hydroxy-5-[[4-[2-[4-[(5-hydroxy-6-sulfo-1-naphthyl)carbamoyl]-5-imino-6-methyl-cyclohexa-1,3-dien-1-yl]-2-oxo-acetyl]-6-imino-5-methyl-cyclohexa-1,3-diene-1-carbonyl]amino]naphthalene-2-sulfonic acid CAS Name: 1-hydroxy-5-[[[4-[2-[4-[[(5-hydroxy-6-sulfo-1-naphthalenyl)amino]-oxomethyl]-5-imino-6-methyl-1-cyclohexa-1,3-dienyl]-1,2-dioxoethyl]-6-imino-5-methyl-1-cyclohexa-1,3-dienyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 1-hydroxy-5-[[4-[2-[4-[(5-hydroxy-6-sulfonaphthalen-1-yl)carbamoyl]-5-imino-6-methylcyclohexa-1,3-dien-1-yl]-2-oxoacetyl]-6-imino-5-methylcyclohexa-1,3-diene-1-carbonyl]amino]naphthalene-2-sulfonic acid Traditional Name: 1-hydroxy-5-[[4-[2-[4-[(5-hydroxy-6-sulfo-1-naphthyl)carbamoyl]-5-imino-6-methyl-cyclohexa-1,3-dien-1-yl]-2-keto-acetyl]-6-imino-5-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:

CC1C(=CC=C(C1=N)C(=O)NC2=CC=CC3=C2C=CC(=C3O)S(=O)(=O)O)C(=O)C(=O)C4=CC=C(C(=N)C4C)C(=O)NC5=CC=CC6=C5C=CC(=C6O)S(=O)(=O)O

Isomeric SMILES

CC1C(=CC=C(C1=N)C(=O)NC2=CC=CC3=C2C=CC(=C3O)S(=O)(=O)O)C(=O)C(=O)C4=CC=C(C(=N)C4C)C(=O)NC5=CC=CC6=C5C=CC(=C6O)S(=O)(=O)O

InChI

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