sodium; [2-[3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethyl] (E)-octadec-9-enoate; dodecyl sulfate

Systemtic Name: sodium; [2-[3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethyl] (E)-octadec-9-enoate; dodecyl sulfate Openeye Name: sodium; [2-(3,4-dihydroxytetrahydrofuran-2-yl)-2-hydroxy-ethyl] (E)-octadec-9-enoate; dodecyl sulfate CAS Name: sodium; dodecyl sulfate; (E)-9-octadecenoic acid [2-(3,4-dihydroxy-2-oxolanyl)-2-hydroxyethyl] ester IUPAC Name: sodium; [2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl] (E)-octadec-9-enoate; dodecyl sulfate Traditional Name: sodium; lauryl sulfate; (E)-octadec-9-enoic acid [2-(3,4-dihydroxytetrahydrofuran-2-yl)-2-hydroxy-ethyl] ester Formula: C36H69NaO10S MolecularWeight: 716.98183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCC=CCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCC/C=C/CCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O.[Na+]

InChI

InChI=1S/C24H44O6.C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h9-10,20-21,23-26,28H,2-8,11-19H2,1H3;2-12H2,1H3,(H,13,14,15);/q;;+1/p-1/b10-9+;;