[(E,3S)-3-azanyl-3-(hydroxymethyl)-5-(4-octylphenyl)pent-1-enyl]phosphonic acid

Systemtic Name: [(E,3S)-3-azanyl-3-(hydroxymethyl)-5-(4-octylphenyl)pent-1-enyl]phosphonic acid Openeye Name: [(E,3S)-3-amino-3-(hydroxymethyl)-5-(4-octylphenyl)pent-1-enyl]phosphonic acid CAS Name: [(E,3S)-3-amino-3-(hydroxymethyl)-5-(4-octylphenyl)pent-1-enyl]phosphonic acid IUPAC Name: [(E,3S)-3-amino-3-(hydroxymethyl)-5-(4-octylphenyl)pent-1-enyl]phosphonic acid Traditional Name: [(E,3S)-3-amino-3-methylol-5-(4-octylphenyl)pent-1-enyl]phosphonic acid Formula: C20H34NO4P MolecularWeight: 383.462021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(CO)(C=CP(=O)(O)O)N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CC[C@@](CO)(/C=C/P(=O)(O)O)N

InChI

InChI=1S/C20H34NO4P/c1-2-3-4-5-6-7-8-18-9-11-19(12-10-18)13-14-20(21,17-22)15-16-26(23,24)25/h9-12,15-16,22H,2-8,13-14,17,21H2,1H3,(H2,23,24,25)/b16-15+/t20-/m0/s1