diphenyl 3-acetamido-1-oxidanylidene-3-phenyl-propane-1,2-disulfonate

Systemtic Name: diphenyl 3-acetamido-1-oxidanylidene-3-phenyl-propane-1,2-disulfonate Openeye Name: diphenyl 3-acetamido-1-oxo-3-phenyl-propane-1,2-disulfonate CAS Name: 3-acetamido-1-oxo-3-phenylpropane-1,2-disulfonic acid diphenyl ester IUPAC Name: diphenyl 3-acetamido-1-oxo-3-phenylpropane-1,2-disulfonate Traditional Name: 3-acetamido-1-keto-3-phenyl-propane-1,2-disulfonic acid diphenyl ester Formula: C23H21NO8S2 MolecularWeight: 503.54474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=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

CC(=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/C23H21NO8S2/c1-17(25)24-21(18-11-5-2-6-12-18)22(33(27,28)31-19-13-7-3-8-14-19)23(26)34(29,30)32-20-15-9-4-10-16-20/h2-16,21-22H,1H3,(H,24,25)