sodium 3-(16-methylheptadecanoyloxy)propane-1-sulfonate

Systemtic Name: sodium 3-(16-methylheptadecanoyloxy)propane-1-sulfonate Openeye Name: sodium 3-(16-methylheptadecanoyloxy)propane-1-sulfonate CAS Name: sodium 3-(16-methyl-1-oxoheptadecoxy)-1-propanesulfonate IUPAC Name: sodium 3-(16-methylheptadecanoyloxy)propane-1-sulfonate Traditional Name: sodium 3-(16-methylheptadecanoyloxy)propane-1-sulfonate Formula: C21H41NaO5S MolecularWeight: 428.60201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)OCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)OCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H42O5S.Na/c1-20(2)16-13-11-9-7-5-3-4-6-8-10-12-14-17-21(22)26-18-15-19-27(23,24)25;/h20H,3-19H2,1-2H3,(H,23,24,25);/q;+1/p-1