4-[5-ethyl-3-oxidanylidene-4-[(E,3Z)-3-[5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]prop-1-enyl]-1H-pyrazol-2-yl]benzenesulfonic acid

Systemtic Name: 4-[5-ethyl-3-oxidanylidene-4-[(E,3Z)-3-[5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]prop-1-enyl]-1H-pyrazol-2-yl]benzenesulfonic acid Openeye Name: 4-[5-ethyl-3-oxo-4-[(E,3Z)-3-[5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]prop-1-enyl]-1H-pyrazol-2-yl]benzenesulfonic acid CAS Name: 4-[5-ethyl-3-oxo-4-[(E,3Z)-3-[5-oxo-1-(4-sulfophenyl)-4-pyrazolylidene]prop-1-enyl]-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: 4-[5-ethyl-3-oxo-4-[(E,3Z)-3-[5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]prop-1-enyl]-1H-pyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[3-ethyl-5-keto-4-[(E,3Z)-3-[5-keto-1-(4-sulfophenyl)-2-pyrazolin-4-ylidene]prop-1-enyl]-3-pyrazolin-1-yl]besylic acid Formula: C23H20N4O8S2 MolecularWeight: 544.5569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)C=CC=C3C=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)/C=C/C=C\3/C=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C23H20N4O8S2/c1-2-21-20(23(29)27(25-21)17-8-12-19(13-9-17)37(33,34)35)5-3-4-15-14-24-26(22(15)28)16-6-10-18(11-7-16)36(30,31)32/h3-14,25H,2H2,1H3,(H,30,31,32)(H,33,34,35)/b5-3+,15-4-