2-phenethyloxy-6-(2-sulfanylethyl)benzoic acid

Systemtic Name: 2-phenethyloxy-6-(2-sulfanylethyl)benzoic acid Openeye Name: 2-phenethyloxy-6-(2-sulfanylethyl)benzoic acid CAS Name: 2-(2-mercaptoethyl)-6-phenethyloxybenzoic acid IUPAC Name: 2-phenethyloxy-6-(2-sulfanylethyl)benzoic acid Traditional Name: 2-(2-mercaptoethyl)-6-phenethyloxy-benzoic acid Formula: C17H18O3S MolecularWeight: 302.38802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=CC=CC(=C2C(=O)O)CCS

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=CC=CC(=C2C(=O)O)CCS

InChI

InChI=1S/C17H18O3S/c18-17(19)16-14(10-12-21)7-4-8-15(16)20-11-9-13-5-2-1-3-6-13/h1-8,21H,9-12H2,(H,18,19)