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

Systemtic Name: diphenyl 3-(butanoylamino)-1-oxidanylidene-3-phenyl-propane-1,2-disulfonate Openeye Name: diphenyl 3-(butanoylamino)-1-oxo-3-phenyl-propane-1,2-disulfonate CAS Name: 1-oxo-3-(1-oxobutylamino)-3-phenylpropane-1,2-disulfonic acid diphenyl ester IUPAC Name: diphenyl 3-(butanoylamino)-1-oxo-3-phenylpropane-1,2-disulfonate Traditional Name: 3-butyramido-1-keto-3-phenyl-propane-1,2-disulfonic acid diphenyl ester Formula: C25H25NO8S2 MolecularWeight: 531.5979

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=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

CCCC(=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/C25H25NO8S2/c1-2-12-22(27)26-23(19-13-6-3-7-14-19)24(35(29,30)33-20-15-8-4-9-16-20)25(28)36(31,32)34-21-17-10-5-11-18-21/h3-11,13-18,23-24H,2,12H2,1H3,(H,26,27)