[(2S)-2,3-bis(butylsulfonyl)propyl] benzoate

Systemtic Name: [(2S)-2,3-bis(butylsulfonyl)propyl] benzoate Openeye Name: [(2S)-2,3-bis(butylsulfonyl)propyl] benzoate CAS Name: benzoic acid [(2S)-2,3-bis(butylsulfonyl)propyl] ester IUPAC Name: [(2S)-2,3-bis(butylsulfonyl)propyl] benzoate Traditional Name: benzoic acid [(2S)-2,3-bis(butylsulfonyl)propyl] ester Formula: C18H28O6S2 MolecularWeight: 404.54132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28O6S2/c1-3-5-12-25(20,21)15-17(26(22,23)13-6-4-2)14-24-18(19)16-10-8-7-9-11-16/h7-11,17H,3-6,12-15H2,1-2H3/t17-/m0/s1