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

Systemtic Name: 8-[(4S,5S)-2,2-diethyl-5-octyl-1,3-dioxolan-4-yl]octyl hydrogen sulfate Openeye Name: 8-[(4S,5S)-2,2-diethyl-5-octyl-1,3-dioxolan-4-yl]octyl hydrogen sulfate CAS Name: sulfuric acid 8-[(4S,5S)-2,2-diethyl-5-octyl-1,3-dioxolan-4-yl]octyl ester IUPAC Name: 8-[(4S,5S)-2,2-diethyl-5-octyl-1,3-dioxolan-4-yl]octyl hydrogen sulfate Traditional Name: sulfuric acid 8-[(4S,5S)-2,2-diethyl-5-octyl-1,3-dioxolan-4-yl]octyl ester Formula: C23H46O6S MolecularWeight: 450.67274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H46O6S/c1-4-7-8-9-12-15-18-21-22(29-23(5-2,6-3)28-21)19-16-13-10-11-14-17-20-27-30(24,25)26/h21-22H,4-20H2,1-3H3,(H,24,25,26)/t21-,22-/m0/s1