2-[(4-methylsulfonylphenyl)methyl]-5-sulfanyl-pentanoic acid

Systemtic Name: 2-[(4-methylsulfonylphenyl)methyl]-5-sulfanyl-pentanoic acid Openeye Name: 2-[(4-methylsulfonylphenyl)methyl]-5-sulfanyl-pentanoic acid CAS Name: 5-mercapto-2-[(4-methylsulfonylphenyl)methyl]pentanoic acid IUPAC Name: 2-[(4-methylsulfonylphenyl)methyl]-5-sulfanylpentanoic acid Traditional Name: 5-mercapto-2-(4-mesylbenzyl)valeric acid Formula: C13H18O4S2 MolecularWeight: 302.40962

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC(CCCS)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC(CCCS)C(=O)O

InChI

InChI=1S/C13H18O4S2/c1-19(16,17)12-6-4-10(5-7-12)9-11(13(14)15)3-2-8-18/h4-7,11,18H,2-3,8-9H2,1H3,(H,14,15)