2-(3-phenylpropylsulfanyl)propanedioic acid

Systemtic Name: 2-(3-phenylpropylsulfanyl)propanedioic acid Openeye Name: 2-(3-phenylpropylsulfanyl)propanedioic acid CAS Name: 2-(3-phenylpropylthio)propanedioic acid IUPAC Name: 2-(3-phenylpropylsulfanyl)propanedioic acid Traditional Name: 2-(3-phenylpropylthio)malonic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCSC(C(=O)O)C(=O)O

InChI

InChI=1S/C12H14O4S/c13-11(14)10(12(15)16)17-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,13,14)(H,15,16)