2-[[3-(phenylmethyl)phenyl]methyl]-5-sulfanyl-pentanoic acid

Systemtic Name: 2-[[3-(phenylmethyl)phenyl]methyl]-5-sulfanyl-pentanoic acid Openeye Name: 2-[(3-benzylphenyl)methyl]-5-sulfanyl-pentanoic acid CAS Name: 5-mercapto-2-[[3-(phenylmethyl)phenyl]methyl]pentanoic acid IUPAC Name: 2-[(3-benzylphenyl)methyl]-5-sulfanylpentanoic acid Traditional Name: 2-(3-benzylbenzyl)-5-mercapto-valeric acid Formula: C19H22O2S MolecularWeight: 314.44178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=CC=C2)CC(CCCS)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=CC=C2)CC(CCCS)C(=O)O

InChI

InChI=1S/C19H22O2S/c20-19(21)18(10-5-11-22)14-17-9-4-8-16(13-17)12-15-6-2-1-3-7-15/h1-4,6-9,13,18,22H,5,10-12,14H2,(H,20,21)