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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC(=O)CCCCCCCCCCCCCCC(C)C)S(=O)(=O)O

Isomeric SMILES

CCC(OC(=O)CCCCCCCCCCCCCCC(C)C)S(=O)(=O)O

InChI

InChI=1S/C21H42O5S/c1-4-21(27(23,24)25)26-20(22)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19(2)3/h19,21H,4-18H2,1-3H3,(H,23,24,25)