sodium (1-methoxy-1-oxidanylidene-12-sulfooxy-octadecan-9-yl) sulfate

Systemtic Name: sodium (1-methoxy-1-oxidanylidene-12-sulfooxy-octadecan-9-yl) sulfate Openeye Name: sodium [1-(8-methoxy-8-oxo-octyl)-4-sulfooxy-decyl] sulfate CAS Name: sodium (1-methoxy-1-oxo-12-sulfooxyoctadecan-9-yl) sulfate IUPAC Name: sodium (1-methoxy-1-oxo-12-sulfooxyoctadecan-9-yl) sulfate Traditional Name: sodium [1-(8-keto-8-methoxy-octyl)-4-sulfoxy-decyl] sulfate Formula: C19H37NaO10S2 MolecularWeight: 512.61085

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC(CCCCCCCC(=O)OC)OS(=O)(=O)[O-])OS(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCC(CCC(CCCCCCCC(=O)OC)OS(=O)(=O)[O-])OS(=O)(=O)O.[Na+]

InChI

InChI=1S/C19H38O10S2.Na/c1-3-4-5-9-12-17(28-30(21,22)23)15-16-18(29-31(24,25)26)13-10-7-6-8-11-14-19(20)27-2;/h17-18H,3-16H2,1-2H3,(H,21,22,23)(H,24,25,26);/q;+1/p-1