2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzoate

Systemtic Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzoate Openeye Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzoate CAS Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]benzoate IUPAC Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzoate Traditional Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]benzoate Formula: C17H17O3S- MolecularWeight: 301.38008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=CC=CC=C2C(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=CC=CC=C2C(=O)[O-])C

InChI

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