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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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