2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]ethanoate

Systemtic Name: 2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]ethanoate Openeye Name: 2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetate CAS Name: 2-[4-[[(2,4-dimethylphenyl)thio]methyl]phenyl]acetate IUPAC Name: 2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetate Traditional Name: 2-[4-[[(2,4-dimethylphenyl)thio]methyl]phenyl]acetate Formula: C17H17O2S- MolecularWeight: 285.38068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=C(C=C2)CC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=C(C=C2)CC(=O)[O-])C

InChI

InChI=1S/C17H18O2S/c1-12-3-8-16(13(2)9-12)20-11-15-6-4-14(5-7-15)10-17(18)19/h3-9H,10-11H2,1-2H3,(H,18,19)/p-1