nonan-3-yl 4-methylbenzenesulfonate

Systemtic Name: nonan-3-yl 4-methylbenzenesulfonate Openeye Name: 1-ethylheptyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid nonan-3-yl ester IUPAC Name: nonan-3-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-ethylheptyl ester Formula: C16H26O3S MolecularWeight: 298.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26O3S/c1-4-6-7-8-9-15(5-2)19-20(17,18)16-12-10-14(3)11-13-16/h10-13,15H,4-9H2,1-3H3