bis[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: bis[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: bis[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid bis[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]methyl ester IUPAC Name: bis[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid bis[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]methyl ester Formula: C22H34O7S MolecularWeight: 442.56616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(OCC(O1)C(C2COC(O2)(CC)CC)OS(=O)(=O)C3=CC=C(C=C3)C)CC

Isomeric SMILES

CCC1(OC[C@H](O1)C([C@@H]2COC(O2)(CC)CC)OS(=O)(=O)C3=CC=C(C=C3)C)CC

InChI

InChI=1S/C22H34O7S/c1-6-21(7-2)25-14-18(27-21)20(19-15-26-22(8-3,9-4)28-19)29-30(23,24)17-12-10-16(5)11-13-17/h10-13,18-20H,6-9,14-15H2,1-5H3/t18-,19-/m0/s1