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

Systemtic Name: 8-[(4S,5S)-5-octyl-2,2-dipropyl-1,3-dioxolan-4-yl]octyl hydrogen sulfate Openeye Name: 8-[(4S,5S)-5-octyl-2,2-dipropyl-1,3-dioxolan-4-yl]octyl hydrogen sulfate CAS Name: sulfuric acid 8-[(4S,5S)-5-octyl-2,2-dipropyl-1,3-dioxolan-4-yl]octyl ester IUPAC Name: 8-[(4S,5S)-5-octyl-2,2-dipropyl-1,3-dioxolan-4-yl]octyl hydrogen sulfate Traditional Name: sulfuric acid 8-[(4S,5S)-5-octyl-2,2-dipropyl-1,3-dioxolan-4-yl]octyl ester Formula: C25H50O6S MolecularWeight: 478.7259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H50O6S/c1-4-7-8-9-12-15-18-23-24(31-25(30-23,20-5-2)21-6-3)19-16-13-10-11-14-17-22-29-32(26,27)28/h23-24H,4-22H2,1-3H3,(H,26,27,28)/t23-,24-/m0/s1