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

Systemtic Name: 8-[(4S,5S)-2,2-dibutyl-5-octyl-1,3-dioxolan-4-yl]octyl hydrogen sulfate Openeye Name: 8-[(4S,5S)-2,2-dibutyl-5-octyl-1,3-dioxolan-4-yl]octyl hydrogen sulfate CAS Name: sulfuric acid 8-[(4S,5S)-2,2-dibutyl-5-octyl-1,3-dioxolan-4-yl]octyl ester IUPAC Name: 8-[(4S,5S)-2,2-dibutyl-5-octyl-1,3-dioxolan-4-yl]octyl hydrogen sulfate Traditional Name: sulfuric acid 8-[(4S,5S)-2,2-dibutyl-5-octyl-1,3-dioxolan-4-yl]octyl ester Formula: C27H54O6S MolecularWeight: 506.77906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H54O6S/c1-4-7-10-11-14-17-20-25-26(33-27(32-25,22-8-5-2)23-9-6-3)21-18-15-12-13-16-19-24-31-34(28,29)30/h25-26H,4-24H2,1-3H3,(H,28,29,30)/t25-,26-/m0/s1