tert-butyl 4-[6,6-dimethoxy-5-(methylsulfonyloxymethyl)hexan-2-yl]benzoate

Systemtic Name: tert-butyl 4-[6,6-dimethoxy-5-(methylsulfonyloxymethyl)hexan-2-yl]benzoate Openeye Name: tert-butyl 4-[5,5-dimethoxy-1-methyl-4-(methylsulfonyloxymethyl)pentyl]benzoate CAS Name: 4-[6,6-dimethoxy-5-(methylsulfonyloxymethyl)hexan-2-yl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6,6-dimethoxy-5-(methylsulfonyloxymethyl)hexan-2-yl]benzoate Traditional Name: 4-[5,5-dimethoxy-1-methyl-4-(methylsulfonyloxymethyl)pentyl]benzoic acid tert-butyl ester Formula: C21H34O7S MolecularWeight: 430.55546

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(COS(=O)(=O)C)C(OC)OC)C1=CC=C(C=C1)C(=O)OC(C)(C)C

Isomeric SMILES

CC(CCC(COS(=O)(=O)C)C(OC)OC)C1=CC=C(C=C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H34O7S/c1-15(8-9-18(20(25-5)26-6)14-27-29(7,23)24)16-10-12-17(13-11-16)19(22)28-21(2,3)4/h10-13,15,18,20H,8-9,14H2,1-7H3