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4-(2-methyl-3-phenyl-phenyl)sulfanylbutanoic acid

4-(2-methyl-3-phenyl-phenyl)sulfanylbutanoic acid

Systemtic Name:4-(2-methyl-3-phenyl-phenyl)sulfanylbutanoic acid
Openeye Name:4-(2-methyl-3-phenyl-phenyl)sulfanylbutanoic acid
CAS Name:4-[(2-methyl-3-phenylphenyl)thio]butanoic acid
IUPAC Name:4-(2-methyl-3-phenylphenyl)sulfanylbutanoic acid
Traditional Name:4-[(2-methyl-3-phenyl-phenyl)thio]butyric acid
Formula: C17H18O2S
MolecularWeight: 286.38862
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCCC(=O)O)C2=CC=CC=C2


Isomeric SMILES

CC1=C(C=CC=C1SCCCC(=O)O)C2=CC=CC=C2


InChI

InChI=1S/C17H18O2S/c1-13-15(14-7-3-2-4-8-14)9-5-10-16(13)20-12-6-11-17(18)19/h2-5,7-10H,6,11-12H2,1H3,(H,18,19)


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