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

Systemtic Name: [(2S)-2,3-bis(butylsulfonyl)propyl] 4-methylbenzoate Openeye Name: [(2S)-2,3-bis(butylsulfonyl)propyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2S)-2,3-bis(butylsulfonyl)propyl] ester IUPAC Name: [(2S)-2,3-bis(butylsulfonyl)propyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2S)-2,3-bis(butylsulfonyl)propyl] ester Formula: C19H30O6S2 MolecularWeight: 418.5679

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30O6S2/c1-4-6-12-26(21,22)15-18(27(23,24)13-7-5-2)14-25-19(20)17-10-8-16(3)9-11-17/h8-11,18H,4-7,12-15H2,1-3H3/t18-/m0/s1