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

Systemtic Name: sodium [4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenyl] hydrogen phosphate Openeye Name: sodium [4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)vinyl]phenyl] hydrogen phosphate CAS Name: sodium [4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenyl] hydrogen phosphate IUPAC Name: sodium [4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenyl] hydrogen phosphate Traditional Name: sodium [4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)vinyl]phenyl] hydrogen phosphate Formula: C17H15NNaO6P MolecularWeight: 383.267631

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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-])C#N)OC.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C17H16NO6P.Na/c1-22-16-8-5-13(10-17(16)23-2)14(11-18)9-12-3-6-15(7-4-12)24-25(19,20)21;/h3-10H,1-2H3,(H2,19,20,21);/q;+1/p-1/b14-9+;