3-[4-(2-methoxy-5-methyl-phenyl)phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[4-(2-methoxy-5-methyl-phenyl)phenyl]sulfanylpropanoic acid Openeye Name: 3-[4-(2-methoxy-5-methyl-phenyl)phenyl]sulfanylpropanoic acid CAS Name: 3-[[4-(2-methoxy-5-methylphenyl)phenyl]thio]propanoic acid IUPAC Name: 3-[4-(2-methoxy-5-methylphenyl)phenyl]sulfanylpropanoic acid Traditional Name: 3-[[4-(2-methoxy-5-methyl-phenyl)phenyl]thio]propionic acid Formula: C17H18O3S MolecularWeight: 302.38802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C2=CC=C(C=C2)SCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C2=CC=C(C=C2)SCCC(=O)O

InChI

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