1,3-bis(butylsulfonyl)propan-2-yl 4-methylbenzoate

Systemtic Name: 1,3-bis(butylsulfonyl)propan-2-yl 4-methylbenzoate Openeye Name: [2-butylsulfonyl-1-(butylsulfonylmethyl)ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid 1,3-bis(butylsulfonyl)propan-2-yl ester IUPAC Name: 1,3-bis(butylsulfonyl)propan-2-yl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-butylsulfonyl-1-(butylsulfonylmethyl)ethyl] ester Formula: C19H30O6S2 MolecularWeight: 418.5679

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30O6S2/c1-4-6-12-26(21,22)14-18(15-27(23,24)13-7-5-2)25-19(20)17-10-8-16(3)9-11-17/h8-11,18H,4-7,12-15H2,1-3H3