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1-deuteriooctyl 4-methylbenzenesulfonate

1-deuteriooctyl 4-methylbenzenesulfonate

Systemtic Name:1-deuteriooctyl 4-methylbenzenesulfonate
Openeye Name:1-deuteriooctyl 4-methylbenzenesulfonate
CAS Name:4-methylbenzenesulfonic acid 1-deuteriooctyl ester
IUPAC Name:1-deuteriooctyl 4-methylbenzenesulfonate
Traditional Name:4-methylbenzenesulfonic acid 1-deuteriooctyl ester
Formula: C15H24O3S
MolecularWeight: 285.420422
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C


Isomeric SMILES

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


InChI

InChI=1S/C15H24O3S/c1-3-4-5-6-7-8-13-18-19(16,17)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3/i13D


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