3-fluoranylnonyl 4-methylbenzenesulfonate

Systemtic Name: 3-fluoranylnonyl 4-methylbenzenesulfonate Openeye Name: 3-fluorononyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-fluorononyl ester IUPAC Name: 3-fluorononyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-fluorononyl ester Formula: C16H25FO3S MolecularWeight: 316.431303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCOS(=O)(=O)C1=CC=C(C=C1)C)F

Isomeric SMILES

CCCCCCC(CCOS(=O)(=O)C1=CC=C(C=C1)C)F

InChI

InChI=1S/C16H25FO3S/c1-3-4-5-6-7-15(17)12-13-20-21(18,19)16-10-8-14(2)9-11-16/h8-11,15H,3-7,12-13H2,1-2H3