2-[1,1-bis(phenylsulfanyl)ethyl]propanedioic acid

Systemtic Name: 2-[1,1-bis(phenylsulfanyl)ethyl]propanedioic acid Openeye Name: 2-[1,1-bis(phenylsulfanyl)ethyl]propanedioic acid CAS Name: 2-[1,1-bis(phenylthio)ethyl]propanedioic acid IUPAC Name: 2-[1,1-bis(phenylsulfanyl)ethyl]propanedioic acid Traditional Name: 2-[1,1-bis(phenylthio)ethyl]malonic acid Formula: C17H16O4S2 MolecularWeight: 348.43654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)C(=O)O)(SC1=CC=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CC(C(C(=O)O)C(=O)O)(SC1=CC=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C17H16O4S2/c1-17(14(15(18)19)16(20)21,22-12-8-4-2-5-9-12)23-13-10-6-3-7-11-13/h2-11,14H,1H3,(H,18,19)(H,20,21)