3-(16-methylheptadecanoyloxy)propane-1-sulfonic acid

Systemtic Name: 3-(16-methylheptadecanoyloxy)propane-1-sulfonic acid Openeye Name: 3-(16-methylheptadecanoyloxy)propane-1-sulfonic acid CAS Name: 3-(16-methyl-1-oxoheptadecoxy)-1-propanesulfonic acid IUPAC Name: 3-(16-methylheptadecanoyloxy)propane-1-sulfonic acid Traditional Name: 3-(16-methylheptadecanoyloxy)propane-1-sulfonic acid Formula: C21H42O5S MolecularWeight: 406.62018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)OCCCS(=O)(=O)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)OCCCS(=O)(=O)O

InChI

InChI=1S/C21H42O5S/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)