1,3-bis(butylsulfonyl)propan-2-yl benzoate

Systemtic Name: 1,3-bis(butylsulfonyl)propan-2-yl benzoate Openeye Name: [2-butylsulfonyl-1-(butylsulfonylmethyl)ethyl] benzoate CAS Name: benzoic acid 1,3-bis(butylsulfonyl)propan-2-yl ester IUPAC Name: 1,3-bis(butylsulfonyl)propan-2-yl benzoate Traditional Name: benzoic acid [2-butylsulfonyl-1-(butylsulfonylmethyl)ethyl] ester Formula: C18H28O6S2 MolecularWeight: 404.54132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(CS(=O)(=O)CCCC)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCS(=O)(=O)CC(CS(=O)(=O)CCCC)OC(=O)C1=CC=CC=C1

InChI

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