3-[[(Z)-octadec-9-enoyl]amino]propanethioylphosphonic acid

Systemtic Name: 3-[[(Z)-octadec-9-enoyl]amino]propanethioylphosphonic acid Openeye Name: 3-[[(Z)-octadec-9-enoyl]amino]propanethioylphosphonic acid CAS Name: [3-[[(Z)-1-oxooctadec-9-enyl]amino]-1-sulfanylidenepropyl]phosphonic acid IUPAC Name: 3-[[(Z)-octadec-9-enoyl]amino]propanethioylphosphonic acid Traditional Name: 3-[[(Z)-octadec-9-enoyl]amino]propanethioylphosphonic acid Formula: C21H40NO4PS MolecularWeight: 433.585361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCCC(=S)P(=O)(O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NCCC(=S)P(=O)(O)O

InChI

InChI=1S/C21H40NO4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19-18-21(28)27(24,25)26/h9-10H,2-8,11-19H2,1H3,(H,22,23)(H2,24,25,26)/b10-9-