2-[(3-methoxyphenyl)sulfanylmethyl]-5-phenyl-pentanoic acid

Systemtic Name: 2-[(3-methoxyphenyl)sulfanylmethyl]-5-phenyl-pentanoic acid Openeye Name: 2-[(3-methoxyphenyl)sulfanylmethyl]-5-phenyl-pentanoic acid CAS Name: 2-[[(3-methoxyphenyl)thio]methyl]-5-phenylpentanoic acid IUPAC Name: 2-[(3-methoxyphenyl)sulfanylmethyl]-5-phenylpentanoic acid Traditional Name: 2-[[(3-methoxyphenyl)thio]methyl]-5-phenyl-valeric acid Formula: C19H22O3S MolecularWeight: 330.44118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SCC(CCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=CC(=CC=C1)SCC(CCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H22O3S/c1-22-17-11-6-12-18(13-17)23-14-16(19(20)21)10-5-9-15-7-3-2-4-8-15/h2-4,6-8,11-13,16H,5,9-10,14H2,1H3,(H,20,21)