[2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]pyridin-1-ium-1-yl]-1-phosphono-ethyl]-oxidanyl-phosphinate

Systemtic Name: [2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]pyridin-1-ium-1-yl]-1-phosphono-ethyl]-oxidanyl-phosphinate Openeye Name: [2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]pyridin-1-ium-1-yl]-1-phosphono-ethyl]-hydroxy-phosphinate CAS Name: [2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-pyridin-1-iumyl]-1-phosphonoethyl]-hydroxyphosphinate IUPAC Name: [2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]pyridin-1-ium-1-yl]-1-phosphonoethyl]-hydroxyphosphinate Traditional Name: [2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]pyridin-1-ium-1-yl]-1-phosphono-ethyl]-hydroxy-phosphinate Formula: C17H27NO6P2 MolecularWeight: 403.346902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)[O-])C)C

Isomeric SMILES

CC(=CCC/C(=C/CC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)[O-])/C)C

InChI

InChI=1S/C17H27NO6P2/c1-14(2)6-4-7-15(3)9-10-16-8-5-11-18(12-16)13-17(25(19,20)21)26(22,23)24/h5-6,8-9,11-12,17H,4,7,10,13H2,1-3H3,(H3-,19,20,21,22,23,24)/b15-9+