(6E)-6-[[4-[(E)-2-[4-[(2Z)-2-(2-carboxy-6-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]hydrazinylidene]-5-oxidanyl-3-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid; 1-(cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylphenyl)carbonyl-5-ethyl-pyrimidine-2,4-dione

Systemtic Name: (6E)-6-[[4-[(E)-2-[4-[(2Z)-2-(2-carboxy-6-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]hydrazinylidene]-5-oxidanyl-3-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid; 1-(cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylphenyl)carbonyl-5-ethyl-pyrimidine-2,4-dione Openeye Name: (6E)-6-[[4-[(E)-2-[4-[(2Z)-2-(2-carboxy-6-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]hydrazono]-5-hydroxy-3-oxo-cyclohexa-1,4-diene-1-carboxylic acid; 1-(cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylbenzoyl)-5-ethyl-pyrimidine-2,4-dione CAS Name: (6E)-6-[[4-[(E)-2-[4-[(2Z)-2-(2-carboxy-6-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]hydrazinylidene]-5-hydroxy-3-oxo-1-cyclohexa-1,4-dienecarboxylic acid; 1-(1-cyclopent-3-enylmethyl)-6-[(3,5-dimethylphenyl)-oxomethyl]-5-ethylpyrimidine-2,4-dione IUPAC Name: (6E)-6-[[4-[(E)-2-[4-[(2Z)-2-(2-carboxy-6-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]hydrazinylidene]-5-hydroxy-3-oxocyclohexa-1,4-diene-1-carboxylic acid; 1-(cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylbenzoyl)-5-ethylpyrimidine-2,4-dione Traditional Name: (6E)-6-[[4-[(E)-2-[4-[(N'Z)-N'-(2-carboxy-6-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]hydrazono]-5-hydroxy-3-keto-cyclohexa-1,4-diene-1-carboxylic acid; 1-(cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylbenzoyl)-5-ethyl-pyrimidine-2,4-quinone Formula: C49H44N6O17S2 MolecularWeight: 1053.03366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)NC1=O)CC2CC=CC2)C(=O)C3=CC(=CC(=C3)C)C.C1=CC(=C(C=C1NN=C2C(=CC(=O)C=C2O)C(=O)O)S(=O)(=O)O)C=CC3=C(C=C(C=C3)NN=C4C(=CC(=O)C=C4O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCC1=C(N(C(=O)NC1=O)CC2CC=CC2)C(=O)C3=CC(=CC(=C3)C)C.C1=CC(=C(C=C1N/N=C/2\C(=CC(=O)C=C2O)C(=O)O)S(=O)(=O)O)/C=C/C3=C(C=C(C=C3)N/N=C\4/C(=CC(=O)C=C4O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C28H20N4O14S2.C21H24N2O3/c33-17-9-19(27(37)38)25(21(35)11-17)31-29-15-5-3-13(23(7-15)47(41,42)43)1-2-14-4-6-16(8-24(14)48(44,45)46)30-32-26-20(28(39)40)10-18(34)12-22(26)36;1-4-17-18(19(24)16-10-13(2)9-14(3)11-16)23(21(26)22-20(17)25)12-15-7-5-6-8-15/h1-12,29-30,35-36H,(H,37,38)(H,39,40)(H,41,42,43)(H,44,45,46);5-6,9-11,15H,4,7-8,12H2,1-3H3,(H,22,25,26)/b2-1+,31-25-,32-26+;