3,3-dideuteriotetradecyl 4-methylbenzenesulfonate

Systemtic Name: 3,3-dideuteriotetradecyl 4-methylbenzenesulfonate Openeye Name: 3,3-dideuteriotetradecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3,3-dideuteriotetradecyl ester IUPAC Name: 3,3-dideuteriotetradecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3,3-dideuteriotetradecyl ester Formula: C21H36O3S MolecularWeight: 370.586064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

[2H]C([2H])(CCCCCCCCCCC)CCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C21H36O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-24-25(22,23)21-17-15-20(2)16-18-21/h15-18H,3-14,19H2,1-2H3/i13D2