(1,1,7,7-tetradeuterio-7-oxidanyl-heptyl) 4-methylbenzenesulfonate

Systemtic Name: (1,1,7,7-tetradeuterio-7-oxidanyl-heptyl) 4-methylbenzenesulfonate Openeye Name: (1,1,7,7-tetradeuterio-7-hydroxy-heptyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1,1,7,7-tetradeuterio-7-hydroxyheptyl) ester IUPAC Name: (1,1,7,7-tetradeuterio-7-hydroxyheptyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1,1,7,7-tetradeuterio-7-hydroxy-heptyl) ester Formula: C14H22O4S MolecularWeight: 290.411727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCO

Isomeric SMILES

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

InChI

InChI=1S/C14H22O4S/c1-13-7-9-14(10-8-13)19(16,17)18-12-6-4-2-3-5-11-15/h7-10,15H,2-6,11-12H2,1H3/i11D2,12D2