diphenyl 1-oxidanylidene-3-phenyl-3-(propanoylamino)propane-1,2-disulfonate

Systemtic Name: diphenyl 1-oxidanylidene-3-phenyl-3-(propanoylamino)propane-1,2-disulfonate Openeye Name: diphenyl 1-oxo-3-phenyl-3-(propanoylamino)propane-1,2-disulfonate CAS Name: 1-oxo-3-(1-oxopropylamino)-3-phenylpropane-1,2-disulfonic acid diphenyl ester IUPAC Name: diphenyl 1-oxo-3-phenyl-3-(propanoylamino)propane-1,2-disulfonate Traditional Name: 1-keto-3-phenyl-3-propionamido-propane-1,2-disulfonic acid diphenyl ester Formula: C24H23NO8S2 MolecularWeight: 517.57132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C1=CC=CC=C1)C(C(=O)S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC(C1=CC=CC=C1)C(C(=O)S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C24H23NO8S2/c1-2-21(26)25-22(18-12-6-3-7-13-18)23(34(28,29)32-19-14-8-4-9-15-19)24(27)35(30,31)33-20-16-10-5-11-17-20/h3-17,22-23H,2H2,1H3,(H,25,26)