[bis(hydroxymethyl)amino]methanol; [5-[(Z)-2-(3-fluoranyl-4,5-dimethoxy-phenyl)ethenyl]-2-methoxy-phenyl] dihydrogen phosphate

Systemtic Name: [bis(hydroxymethyl)amino]methanol; [5-[(Z)-2-(3-fluoranyl-4,5-dimethoxy-phenyl)ethenyl]-2-methoxy-phenyl] dihydrogen phosphate Openeye Name: [bis(hydroxymethyl)amino]methanol; [5-[(Z)-2-(3-fluoro-4,5-dimethoxy-phenyl)vinyl]-2-methoxy-phenyl] dihydrogen phosphate CAS Name: [bis(hydroxymethyl)amino]methanol; [5-[(Z)-2-(3-fluoro-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl] dihydrogen phosphate IUPAC Name: [bis(hydroxymethyl)amino]methanol; [5-[(Z)-2-(3-fluoro-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl] dihydrogen phosphate Traditional Name: (dimethylolamino)methanol; [5-[(Z)-2-(3-fluoro-4,5-dimethoxy-phenyl)vinyl]-2-methoxy-phenyl] dihydrogen phosphate Formula: C23H36FN2O13P MolecularWeight: 598.509704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)F)OC)OC)OP(=O)(O)O.C(N(CO)CO)O.C(N(CO)CO)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)F)OC)OC)OP(=O)(O)O.C(N(CO)CO)O.C(N(CO)CO)O

InChI

InChI=1S/C17H18FO7P.2C3H9NO3/c1-22-14-7-6-11(9-15(14)25-26(19,20)21)4-5-12-8-13(18)17(24-3)16(10-12)23-2;2*5-1-4(2-6)3-7/h4-10H,1-3H3,(H2,19,20,21);2*5-7H,1-3H2/b5-4-;;