1-deuteriononyl 4-methylbenzenesulfonate

Systemtic Name: 1-deuteriononyl 4-methylbenzenesulfonate Openeye Name: 1-deuteriononyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-deuteriononyl ester IUPAC Name: 1-deuteriononyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-deuteriononyl ester Formula: C16H26O3S MolecularWeight: 299.447002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

[2H]C(CCCCCCCC)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C16H26O3S/c1-3-4-5-6-7-8-9-14-19-20(17,18)16-12-10-15(2)11-13-16/h10-13H,3-9,14H2,1-2H3/i14D