dimethyl 2-[(S)-1,3-dithiolan-2-yl-(3-phenylphenyl)methyl]propanedioate

Systemtic Name: dimethyl 2-[(S)-1,3-dithiolan-2-yl-(3-phenylphenyl)methyl]propanedioate Openeye Name: dimethyl 2-[(S)-1,3-dithiolan-2-yl-(3-phenylphenyl)methyl]propanedioate CAS Name: 2-[(S)-1,3-dithiolan-2-yl-(3-phenylphenyl)methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(S)-1,3-dithiolan-2-yl-(3-phenylphenyl)methyl]propanedioate Traditional Name: 2-[(S)-1,3-dithiolan-2-yl-(3-phenylphenyl)methyl]malonic acid dimethyl ester Formula: C21H22O4S2 MolecularWeight: 402.52698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1SCCS1)C2=CC=CC(=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C([C@H](C1SCCS1)C2=CC=CC(=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H22O4S2/c1-24-19(22)18(20(23)25-2)17(21-26-11-12-27-21)16-10-6-9-15(13-16)14-7-4-3-5-8-14/h3-10,13,17-18,21H,11-12H2,1-2H3/t17-/m1/s1