sodium; hydrogen sulfate; propyl (Z)-octadec-9-enoate

Systemtic Name: sodium; hydrogen sulfate; propyl (Z)-octadec-9-enoate Openeye Name: sodium; hydrogen sulfate; propyl (Z)-octadec-9-enoate CAS Name: sodium; hydrogen sulfate; (Z)-9-octadecenoic acid propyl ester IUPAC Name: sodium; hydrogen sulfate; propyl (Z)-octadec-9-enoate Traditional Name: sodium (Z)-octadec-9-enoic acid propyl ester bisulfate Formula: C21H41NaO6S MolecularWeight: 444.60141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H40O2.Na.H2O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2;;1-5(2,3)4/h11-12H,3-10,13-20H2,1-2H3;;(H2,1,2,3,4)/q;+1;/p-1/b12-11-;;