2-phenylethanoic acid; 2-phenylsulfanylethanoic acid

Systemtic Name: 2-phenylethanoic acid; 2-phenylsulfanylethanoic acid Openeye Name: 2-phenylacetic acid; 2-phenylsulfanylacetic acid CAS Name: 2-phenylacetic acid; 2-(phenylthio)acetic acid IUPAC Name: 2-phenylacetic acid; 2-phenylsulfanylacetic acid Traditional Name: 2-phenylacetic acid; 2-(phenylthio)acetic acid Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)SCC(=O)O

InChI

InChI=1S/C8H8O2S.C8H8O2/c9-8(10)6-11-7-4-2-1-3-5-7;9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10);1-5H,6H2,(H,9,10)