2-[(4-methylphenyl)methylsulfanyl]butanedioic acid

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]butanedioic acid Openeye Name: 2-(p-tolylmethylsulfanyl)butanedioic acid CAS Name: 2-[(4-methylphenyl)methylthio]butanedioic acid IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]butanedioic acid Traditional Name: 2-[(4-methylbenzyl)thio]succinic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4S/c1-8-2-4-9(5-3-8)7-17-10(12(15)16)6-11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)(H,15,16)