4-methylpentyl 4-methylbenzenesulfonate

Systemtic Name: 4-methylpentyl 4-methylbenzenesulfonate Openeye Name: isohexyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid isohexyl ester Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O3S/c1-11(2)5-4-10-16-17(14,15)13-8-6-12(3)7-9-13/h6-9,11H,4-5,10H2,1-3H3