sodium [(E)-18-oxidanyl-18-oxidanylidene-octadec-9-en-7-yl] sulfate

Systemtic Name: sodium [(E)-18-oxidanyl-18-oxidanylidene-octadec-9-en-7-yl] sulfate Openeye Name: sodium [(E)-1-hexyl-12-hydroxy-12-oxo-dodec-3-enyl] sulfate CAS Name: sodium [(E)-18-hydroxy-18-oxooctadec-9-en-7-yl] sulfate IUPAC Name: sodium [(E)-18-hydroxy-18-oxooctadec-9-en-7-yl] sulfate Traditional Name: sodium [(E)-1-hexyl-12-hydroxy-12-keto-dodec-3-enyl] sulfate Formula: C18H33NaO6S MolecularWeight: 400.50579

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C18H34O6S.Na/c1-2-3-4-11-14-17(24-25(21,22)23)15-12-9-7-5-6-8-10-13-16-18(19)20;/h9,12,17H,2-8,10-11,13-16H2,1H3,(H,19,20)(H,21,22,23);/q;+1/p-1/b12-9+;