dimethyl (2S)-2-[(4-methylphenyl)sulfanylmethyl]-2-oxidanyl-hexanedioate

Systemtic Name: dimethyl (2S)-2-[(4-methylphenyl)sulfanylmethyl]-2-oxidanyl-hexanedioate Openeye Name: dimethyl (2S)-2-hydroxy-2-(p-tolylsulfanylmethyl)hexanedioate CAS Name: (2S)-2-hydroxy-2-[[(4-methylphenyl)thio]methyl]hexanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]hexanedioate Traditional Name: (2S)-2-hydroxy-2-[(p-tolylthio)methyl]adipic acid dimethyl ester Formula: C16H22O5S MolecularWeight: 326.40788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(CCCC(=O)OC)(C(=O)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@](CCCC(=O)OC)(C(=O)OC)O

InChI

InChI=1S/C16H22O5S/c1-12-6-8-13(9-7-12)22-11-16(19,15(18)21-3)10-4-5-14(17)20-2/h6-9,19H,4-5,10-11H2,1-3H3/t16-/m1/s1