methyl 4-[[(2E,6E)-2,6-dimethyl-8-[oxidanyl(phosphonooxy)phosphoryl]oxy-octa-2,6-dienyl]amino]benzoate

Systemtic Name: methyl 4-[[(2E,6E)-2,6-dimethyl-8-[oxidanyl(phosphonooxy)phosphoryl]oxy-octa-2,6-dienyl]amino]benzoate Openeye Name: methyl 4-[[(2E,6E)-8-[hydroxy(phosphonooxy)phosphoryl]oxy-2,6-dimethyl-octa-2,6-dienyl]amino]benzoate CAS Name: 4-[[(2E,6E)-8-[hydroxy(phosphonooxy)phosphoryl]oxy-2,6-dimethylocta-2,6-dienyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2E,6E)-8-[hydroxy(phosphonooxy)phosphoryl]oxy-2,6-dimethylocta-2,6-dienyl]amino]benzoate Traditional Name: 4-[[(2E,6E)-8-[hydroxy(phosphonooxy)phosphoryl]oxy-2,6-dimethyl-octa-2,6-dienyl]amino]benzoic acid methyl ester Formula: C18H27NO9P2 MolecularWeight: 463.355802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOP(=O)(O)OP(=O)(O)O)CCC=C(C)CNC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

C/C(=C\COP(=O)(O)OP(=O)(O)O)/CC/C=C(\C)/CNC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C18H27NO9P2/c1-14(11-12-27-30(24,25)28-29(21,22)23)5-4-6-15(2)13-19-17-9-7-16(8-10-17)18(20)26-3/h6-11,19H,4-5,12-13H2,1-3H3,(H,24,25)(H2,21,22,23)/b14-11+,15-6+