octan-2-yl 2-methylbenzenesulfonate

Systemtic Name: octan-2-yl 2-methylbenzenesulfonate Openeye Name: 1-methylheptyl 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid octan-2-yl ester IUPAC Name: octan-2-yl 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid 1-methylheptyl ester Formula: C15H24O3S MolecularWeight: 284.41426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OS(=O)(=O)C1=CC=CC=C1C

Isomeric SMILES

CCCCCCC(C)OS(=O)(=O)C1=CC=CC=C1C

InChI

InChI=1S/C15H24O3S/c1-4-5-6-7-11-14(3)18-19(16,17)15-12-9-8-10-13(15)2/h8-10,12,14H,4-7,11H2,1-3H3