octan-3-yl 4-methylbenzenesulfonate

Systemtic Name: octan-3-yl 4-methylbenzenesulfonate Openeye Name: 1-ethylhexyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid octan-3-yl ester IUPAC Name: octan-3-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-ethylhexyl ester Formula: C15H24O3S MolecularWeight: 284.41426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24O3S/c1-4-6-7-8-14(5-2)18-19(16,17)15-11-9-13(3)10-12-15/h9-12,14H,4-8H2,1-3H3