4-[2-(3-methylphenoxy)ethylsulfanyl]benzoic acid

Systemtic Name: 4-[2-(3-methylphenoxy)ethylsulfanyl]benzoic acid Openeye Name: 4-[2-(3-methylphenoxy)ethylsulfanyl]benzoic acid CAS Name: 4-[2-(3-methylphenoxy)ethylthio]benzoic acid IUPAC Name: 4-[2-(3-methylphenoxy)ethylsulfanyl]benzoic acid Traditional Name: 4-[2-(3-methylphenoxy)ethylthio]benzoic acid Formula: C16H16O3S MolecularWeight: 288.36144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCCSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H16O3S/c1-12-3-2-4-14(11-12)19-9-10-20-15-7-5-13(6-8-15)16(17)18/h2-8,11H,9-10H2,1H3,(H,17,18)