(E)-2-propyl-2-sulfo-octadec-9-enoic acid

Systemtic Name: (E)-2-propyl-2-sulfo-octadec-9-enoic acid Openeye Name: (E)-2-propyl-2-sulfo-octadec-9-enoic acid CAS Name: (E)-2-propyl-2-sulfo-9-octadecenoic acid IUPAC Name: (E)-2-propyl-2-sulfooctadec-9-enoic acid Traditional Name: (E)-2-propyl-2-sulfo-octadec-9-enoic acid Formula: C21H40O5S MolecularWeight: 404.6043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(CCC)(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCC(CCC)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C21H40O5S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-21(18-4-2,20(22)23)27(24,25)26/h11-12H,3-10,13-19H2,1-2H3,(H,22,23)(H,24,25,26)/b12-11+