[2-(2,2-dimethylpropanoyl)cyclopropyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-(2,2-dimethylpropanoyl)cyclopropyl]methyl 4-methylbenzenesulfonate Openeye Name: [2-(2,2-dimethylpropanoyl)cyclopropyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2,2-dimethyl-1-oxopropyl)cyclopropyl]methyl ester IUPAC Name: [2-(2,2-dimethylpropanoyl)cyclopropyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-pivaloylcyclopropyl)methyl ester Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC2C(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC2C(=O)C(C)(C)C

InChI

InChI=1S/C16H22O4S/c1-11-5-7-13(8-6-11)21(18,19)20-10-12-9-14(12)15(17)16(2,3)4/h5-8,12,14H,9-10H2,1-4H3