sodium [4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxy-phenyl] hydrogen phosphate

Systemtic Name: sodium [4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxy-phenyl] hydrogen phosphate Openeye Name: sodium [4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)vinyl]-2-methoxy-phenyl] hydrogen phosphate CAS Name: sodium [4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenyl] hydrogen phosphate IUPAC Name: sodium [4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenyl] hydrogen phosphate Traditional Name: sodium [4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)vinyl]-2-methoxy-phenyl] hydrogen phosphate Formula: C18H17NNaO7P MolecularWeight: 413.293611

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=CC2=CC(=C(C=C2)OP(=O)(O)[O-])OC)C#N)OC.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)/C(=C/C2=CC(=C(C=C2)OP(=O)(O)[O-])OC)/C#N)OC.[Na+]

InChI

InChI=1S/C18H18NO7P.Na/c1-23-15-7-5-13(10-18(15)25-3)14(11-19)8-12-4-6-16(17(9-12)24-2)26-27(20,21)22;/h4-10H,1-3H3,(H2,20,21,22);/q;+1/p-1/b14-8+;