5-[(4-methylphenyl)methylsulfanyl]-3,3-bis(oxidanyl)pentanoic acid

Systemtic Name: 5-[(4-methylphenyl)methylsulfanyl]-3,3-bis(oxidanyl)pentanoic acid Openeye Name: 3,3-dihydroxy-5-(p-tolylmethylsulfanyl)pentanoic acid CAS Name: 3,3-dihydroxy-5-[(4-methylphenyl)methylthio]pentanoic acid IUPAC Name: 3,3-dihydroxy-5-[(4-methylphenyl)methylsulfanyl]pentanoic acid Traditional Name: 3,3-dihydroxy-5-[(4-methylbenzyl)thio]valeric acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCC(CC(=O)O)(O)O

Isomeric SMILES

CC1=CC=C(C=C1)CSCCC(CC(=O)O)(O)O

InChI

InChI=1S/C13H18O4S/c1-10-2-4-11(5-3-10)9-18-7-6-13(16,17)8-12(14)15/h2-5,16-17H,6-9H2,1H3,(H,14,15)