sodium 2-azanyl-5,5-bis[2,4-bis(fluoranyl)phenyl]pent-4-enoate

Systemtic Name: sodium 2-azanyl-5,5-bis[2,4-bis(fluoranyl)phenyl]pent-4-enoate Openeye Name: sodium 2-amino-5,5-bis(2,4-difluorophenyl)pent-4-enoate CAS Name: sodium 2-amino-5,5-bis(2,4-difluorophenyl)-4-pentenoate IUPAC Name: sodium 2-amino-5,5-bis(2,4-difluorophenyl)pent-4-enoate Traditional Name: sodium 2-amino-5,5-bis(2,4-difluorophenyl)pent-4-enoate Formula: C17H12F4NNaO2 MolecularWeight: 361.266063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)F)C(=CCC(C(=O)[O-])N)C2=C(C=C(C=C2)F)F.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1F)F)C(=CCC(C(=O)[O-])N)C2=C(C=C(C=C2)F)F.[Na+]

InChI

InChI=1S/C17H13F4NO2.Na/c18-9-1-3-12(14(20)7-9)11(5-6-16(22)17(23)24)13-4-2-10(19)8-15(13)21;/h1-5,7-8,16H,6,22H2,(H,23,24);/q;+1/p-1