heptan-2-yl 4-methylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O3S/c1-4-5-6-7-13(3)17-18(15,16)14-10-8-12(2)9-11-14/h8-11,13H,4-7H2,1-3H3