1,2,2,3,3,3-hexadeuteriopropyl 4-methylbenzenesulfonate

Systemtic Name: 1,2,2,3,3,3-hexadeuteriopropyl 4-methylbenzenesulfonate Openeye Name: 1,2,2,3,3,3-hexadeuteriopropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1,2,2,3,3,3-hexadeuteriopropyl ester IUPAC Name: 1,2,2,3,3,3-hexadeuteriopropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1,2,2,3,3,3-hexadeuteriopropyl ester Formula: C10H14O3S MolecularWeight: 220.318331

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Descriptors Computed from Structure

Canonical SMILES:

CCCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

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

InChI

InChI=1S/C10H14O3S/c1-3-8-13-14(11,12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3/i1D3,3D2,8D