3-[4-(4-methoxy-2-methyl-phenyl)phenyl]sulfanylpropanoate

Systemtic Name: 3-[4-(4-methoxy-2-methyl-phenyl)phenyl]sulfanylpropanoate Openeye Name: 3-[4-(4-methoxy-2-methyl-phenyl)phenyl]sulfanylpropanoate CAS Name: 3-[[4-(4-methoxy-2-methylphenyl)phenyl]thio]propanoate IUPAC Name: 3-[4-(4-methoxy-2-methylphenyl)phenyl]sulfanylpropanoate Traditional Name: 3-[[4-(4-methoxy-2-methyl-phenyl)phenyl]thio]propionate Formula: C17H17O3S- MolecularWeight: 301.38008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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