2-methylhexan-3-yl 4-methylbenzenesulfonate

Systemtic Name: 2-methylhexan-3-yl 4-methylbenzenesulfonate Openeye Name: 1-isopropylbutyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-methylhexan-3-yl ester IUPAC Name: 2-methylhexan-3-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-isopropylbutyl ester Formula: C14H22O3S MolecularWeight: 270.38768

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)C)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCC(C(C)C)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C14H22O3S/c1-5-6-14(11(2)3)17-18(15,16)13-9-7-12(4)8-10-13/h7-11,14H,5-6H2,1-4H3