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

Systemtic Name: [(2S)-2,3-bis[(S)-butylsulfinyl]propyl] 4-chloranylbenzoate Openeye Name: [(2S)-2,3-bis[(S)-butylsulfinyl]propyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(2S)-2,3-bis[(S)-butylsulfinyl]propyl] ester IUPAC Name: [(2S)-2,3-bis[(S)-butylsulfinyl]propyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(2S)-2,3-bis[(S)-butylsulfinyl]propyl] ester Formula: C18H27ClO4S2 MolecularWeight: 406.98758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClO4S2/c1-3-5-11-24(21)14-17(25(22)12-6-4-2)13-23-18(20)15-7-9-16(19)10-8-15/h7-10,17H,3-6,11-14H2,1-2H3/t17-,24-,25-/m0/s1