3-prop-2-enoxycarbonyl-3-sulfo-hexadecanoic acid

Systemtic Name: 3-prop-2-enoxycarbonyl-3-sulfo-hexadecanoic acid Openeye Name: 3-allyloxycarbonyl-3-sulfo-hexadecanoic acid CAS Name: 3-[oxo(prop-2-enoxy)methyl]-3-sulfohexadecanoic acid IUPAC Name: 3-prop-2-enoxycarbonyl-3-sulfohexadecanoic acid Traditional Name: 3-allyloxycarbonyl-3-sulfo-palmitic acid Formula: C20H36O7S MolecularWeight: 420.56064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)O)(C(=O)OCC=C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)O)(C(=O)OCC=C)S(=O)(=O)O

InChI

InChI=1S/C20H36O7S/c1-3-5-6-7-8-9-10-11-12-13-14-15-20(17-18(21)22,28(24,25)26)19(23)27-16-4-2/h4H,2-3,5-17H2,1H3,(H,21,22)(H,24,25,26)