3-[[(E)-octadec-9-enyl]-sulfo-amino]propanoic acid

Systemtic Name: 3-[[(E)-octadec-9-enyl]-sulfo-amino]propanoic acid Openeye Name: 3-[[(E)-octadec-9-enyl]-sulfo-amino]propanoic acid CAS Name: 3-[[(E)-octadec-9-enyl]-sulfoamino]propanoic acid IUPAC Name: 3-[[(E)-octadec-9-enyl]-sulfoamino]propanoic acid Traditional Name: 3-[[(E)-octadec-9-enyl]-sulfo-amino]propionic acid Formula: C21H41NO5S MolecularWeight: 419.61894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN(CCC(=O)O)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H41NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(28(25,26)27)20-18-21(23)24/h9-10H,2-8,11-20H2,1H3,(H,23,24)(H,25,26,27)/b10-9+