sodium [1-(8-methylnonoxy)-1-oxidanylidene-octadecan-9-yl] sulfate

Systemtic Name: sodium [1-(8-methylnonoxy)-1-oxidanylidene-octadecan-9-yl] sulfate Openeye Name: sodium 1-[8-(8-methylnonoxy)-8-oxo-octyl]decyl sulfate CAS Name: sodium [1-(8-methylnonoxy)-1-oxooctadecan-9-yl] sulfate IUPAC Name: sodium [1-(8-methylnonoxy)-1-oxooctadecan-9-yl] sulfate Traditional Name: sodium 1-[8-keto-8-(8-methylnonoxy)octyl]decyl sulfate Formula: C28H55NaO6S MolecularWeight: 542.78747

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC(=O)OCCCCCCCC(C)C)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC(=O)OCCCCCCCC(C)C)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C28H56O6S.Na/c1-4-5-6-7-8-12-17-22-27(34-35(30,31)32)23-18-13-9-14-19-24-28(29)33-25-20-15-10-11-16-21-26(2)3;/h26-27H,4-25H2,1-3H3,(H,30,31,32);/q;+1/p-1