sodium [(E)-1-(2-butoxyethoxy)-1-oxidanylidene-octadec-9-en-2-yl] sulfate

Systemtic Name: sodium [(E)-1-(2-butoxyethoxy)-1-oxidanylidene-octadec-9-en-2-yl] sulfate Openeye Name: sodium [(E)-1-(2-butoxyethoxycarbonyl)heptadec-8-enyl] sulfate CAS Name: sodium [(E)-1-(2-butoxyethoxy)-1-oxooctadec-9-en-2-yl] sulfate IUPAC Name: sodium [(E)-1-(2-butoxyethoxy)-1-oxooctadec-9-en-2-yl] sulfate Traditional Name: sodium [(E)-1-(2-butoxyethoxycarbonyl)heptadec-8-enyl] sulfate Formula: C24H45NaO7S MolecularWeight: 500.66467

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(C(=O)OCCOCCCC)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCC(C(=O)OCCOCCCC)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C24H46O7S.Na/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31-32(26,27)28)24(25)30-22-21-29-20-6-4-2;/h12-13,23H,3-11,14-22H2,1-2H3,(H,26,27,28);/q;+1/p-1/b13-12+;