3-[[(Z)-octadec-9-enoyl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[(Z)-octadec-9-enoyl]amino]propane-1-sulfonic acid Openeye Name: 3-[[(Z)-octadec-9-enoyl]amino]propane-1-sulfonic acid CAS Name: 3-[[(Z)-1-oxooctadec-9-enyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[(Z)-octadec-9-enoyl]amino]propane-1-sulfonic acid Traditional Name: 3-[[(Z)-octadec-9-enoyl]amino]propane-1-sulfonic acid Formula: C21H41NO4S MolecularWeight: 403.61954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NCCCS(=O)(=O)O

InChI

InChI=1S/C21H41NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)22-19-17-20-27(24,25)26/h9-10H,2-8,11-20H2,1H3,(H,22,23)(H,24,25,26)/b10-9-