[(2S)-2,3-bis[(S)-butylsulfinyl]propyl] 4-methylbenzoate

Systemtic Name: [(2S)-2,3-bis[(S)-butylsulfinyl]propyl] 4-methylbenzoate Openeye Name: [(2S)-2,3-bis[(S)-butylsulfinyl]propyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2S)-2,3-bis[(S)-butylsulfinyl]propyl] ester IUPAC Name: [(2S)-2,3-bis[(S)-butylsulfinyl]propyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2S)-2,3-bis[(S)-butylsulfinyl]propyl] ester Formula: C19H30O4S2 MolecularWeight: 386.5691

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)CC(COC(=O)C1=CC=C(C=C1)C)S(=O)CCCC

Isomeric SMILES

CCCC[S@](=O)C[C@H](COC(=O)C1=CC=C(C=C1)C)[S@@](=O)CCCC

InChI

InChI=1S/C19H30O4S2/c1-4-6-12-24(21)15-18(25(22)13-7-5-2)14-23-19(20)17-10-8-16(3)9-11-17/h8-11,18H,4-7,12-15H2,1-3H3/t18-,24-,25-/m0/s1