[5-deuterio-11-(methoxymethoxy)undecan-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-deuterio-11-(methoxymethoxy)undecan-5-yl] 4-methylbenzenesulfonate Openeye Name: [1-butyl-1-deuterio-7-(methoxymethoxy)heptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-deuterio-11-(methoxymethoxy)undecan-5-yl] ester IUPAC Name: [5-deuterio-11-(methoxymethoxy)undecan-5-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-butyl-1-deuterio-7-(methoxymethoxy)heptyl] ester Formula: C20H34O5S MolecularWeight: 387.552122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCCCOCOC)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

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

InChI

InChI=1S/C20H34O5S/c1-4-5-10-19(11-8-6-7-9-16-24-17-23-3)25-26(21,22)20-14-12-18(2)13-15-20/h12-15,19H,4-11,16-17H2,1-3H3/i19D