2,2-bis(2-phenylsulfanylethyl)propanedioic acid

Systemtic Name: 2,2-bis(2-phenylsulfanylethyl)propanedioic acid Openeye Name: 2,2-bis(2-phenylsulfanylethyl)propanedioic acid CAS Name: 2,2-bis[2-(phenylthio)ethyl]propanedioic acid IUPAC Name: 2,2-bis(2-phenylsulfanylethyl)propanedioic acid Traditional Name: 2,2-bis[2-(phenylthio)ethyl]malonic acid Formula: C19H20O4S2 MolecularWeight: 376.4897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(CCSC2=CC=CC=C2)(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCC(CCSC2=CC=CC=C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C19H20O4S2/c20-17(21)19(18(22)23,11-13-24-15-7-3-1-4-8-15)12-14-25-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,21)(H,22,23)