(3E)-2-formamido-4-(3-phosphonopentan-3-yl)hepta-3,6-dienoic acid

Systemtic Name: (3E)-2-formamido-4-(3-phosphonopentan-3-yl)hepta-3,6-dienoic acid Openeye Name: (3E)-4-(1-ethyl-1-phosphono-propyl)-2-formamido-hepta-3,6-dienoic acid CAS Name: (3E)-2-formamido-4-(3-phosphonopentan-3-yl)hepta-3,6-dienoic acid IUPAC Name: (3E)-2-formamido-4-(3-phosphonopentan-3-yl)hepta-3,6-dienoic acid Traditional Name: (3E)-4-(1-ethyl-1-phosphono-propyl)-2-formamido-hepta-3,6-dienoic acid Formula: C13H22NO6P MolecularWeight: 319.290641

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=CC(C(=O)O)NC=O)CC=C)P(=O)(O)O

Isomeric SMILES

CCC(CC)(/C(=C/C(C(=O)O)NC=O)/CC=C)P(=O)(O)O

InChI

InChI=1S/C13H22NO6P/c1-4-7-10(8-11(12(16)17)14-9-15)13(5-2,6-3)21(18,19)20/h4,8-9,11H,1,5-7H2,2-3H3,(H,14,15)(H,16,17)(H2,18,19,20)/b10-8+