methyl 3,3,4-trimethyl-4-(4-methylphenyl)sulfonyl-pentanoate

Systemtic Name: methyl 3,3,4-trimethyl-4-(4-methylphenyl)sulfonyl-pentanoate Openeye Name: methyl 3,3,4-trimethyl-4-(p-tolylsulfonyl)pentanoate CAS Name: 3,3,4-trimethyl-4-(4-methylphenyl)sulfonylpentanoic acid methyl ester IUPAC Name: methyl 3,3,4-trimethyl-4-(4-methylphenyl)sulfonylpentanoate Traditional Name: 3,3,4-trimethyl-4-tosyl-valeric acid methyl ester Formula: C16H24O4S MolecularWeight: 312.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O4S/c1-12-7-9-13(10-8-12)21(18,19)16(4,5)15(2,3)11-14(17)20-6/h7-10H,11H2,1-6H3