[2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [5-(benzyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl ester IUPAC Name: [2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(benzoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester Formula: C21H26O6S MolecularWeight: 406.49254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(OC(O2)(C)C)COCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(OC(O2)(C)C)COCC3=CC=CC=C3

InChI

InChI=1S/C21H26O6S/c1-16-9-11-18(12-10-16)28(22,23)25-15-20-19(26-21(2,3)27-20)14-24-13-17-7-5-4-6-8-17/h4-12,19-20H,13-15H2,1-3H3