8-[(4S,5S)-2,2-dimethyl-5-octyl-1,3-dioxolan-4-yl]octyl hydrogen sulfate

Systemtic Name: 8-[(4S,5S)-2,2-dimethyl-5-octyl-1,3-dioxolan-4-yl]octyl hydrogen sulfate Openeye Name: 8-[(4S,5S)-2,2-dimethyl-5-octyl-1,3-dioxolan-4-yl]octyl hydrogen sulfate CAS Name: sulfuric acid 8-[(4S,5S)-2,2-dimethyl-5-octyl-1,3-dioxolan-4-yl]octyl ester IUPAC Name: 8-[(4S,5S)-2,2-dimethyl-5-octyl-1,3-dioxolan-4-yl]octyl hydrogen sulfate Traditional Name: sulfuric acid 8-[(4S,5S)-2,2-dimethyl-5-octyl-1,3-dioxolan-4-yl]octyl ester Formula: C21H42O6S MolecularWeight: 422.61958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(OC(O1)(C)C)CCCCCCCCOS(=O)(=O)O

Isomeric SMILES

CCCCCCCC[C@H]1[C@@H](OC(O1)(C)C)CCCCCCCCOS(=O)(=O)O

InChI

InChI=1S/C21H42O6S/c1-4-5-6-7-10-13-16-19-20(27-21(2,3)26-19)17-14-11-8-9-12-15-18-25-28(22,23)24/h19-20H,4-18H2,1-3H3,(H,22,23,24)/t19-,20-/m0/s1