4-[(E,3Z)-3-(2-carboxy-6-oxidanylidene-4-pyrazol-1-yloxysulfonyl-cyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-3-oxidanylidene-2-(4-sulfophenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 4-[(E,3Z)-3-(2-carboxy-6-oxidanylidene-4-pyrazol-1-yloxysulfonyl-cyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-3-oxidanylidene-2-(4-sulfophenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 4-[(E,3Z)-3-(2-carboxy-6-oxo-4-pyrazol-1-yloxysulfonyl-cyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-3-oxo-2-(4-sulfophenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 4-[(E,3Z)-3-[2-carboxy-6-oxo-4-(1-pyrazolyloxysulfonyl)-1-cyclohexa-2,4-dienylidene]prop-1-enyl]-3-oxo-2-(4-sulfophenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 4-[(E,3Z)-3-(2-carboxy-6-oxo-4-pyrazol-1-yloxysulfonylcyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-3-oxo-2-(4-sulfophenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 4-[(E,3Z)-3-(2-carboxy-6-keto-4-pyrazol-1-yloxysulfonyl-cyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-5-keto-1-(4-sulfophenyl)-3-pyrazoline-3-carboxylic acid Formula: C23H16N4O12S2 MolecularWeight: 604.52274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)OS(=O)(=O)C2=CC(=O)C(=CC=CC3=C(NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C(=O)O)C(=C2)C(=O)O

Isomeric SMILES

C1=CN(N=C1)OS(=O)(=O)C2=CC(=O)/C(=C\C=C\C3=C(NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C(=O)O)/C(=C2)C(=O)O

InChI

InChI=1S/C23H16N4O12S2/c28-19-12-15(41(37,38)39-26-10-2-9-24-26)11-18(22(30)31)16(19)3-1-4-17-20(23(32)33)25-27(21(17)29)13-5-7-14(8-6-13)40(34,35)36/h1-12,25H,(H,30,31)(H,32,33)(H,34,35,36)/b4-1+,16-3-