4-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzoic acid

Systemtic Name: 4-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzoic acid Openeye Name: 4-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzoic acid CAS Name: 4-[2-(3,5-dimethylphenoxy)ethylthio]benzoic acid IUPAC Name: 4-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzoic acid Traditional Name: 4-[2-(3,5-dimethylphenoxy)ethylthio]benzoic acid Formula: C17H18O3S MolecularWeight: 302.38802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O3S/c1-12-9-13(2)11-15(10-12)20-7-8-21-16-5-3-14(4-6-16)17(18)19/h3-6,9-11H,7-8H2,1-2H3,(H,18,19)