sodium 6-[[(Z)-(3-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]hexanoate

Systemtic Name: sodium 6-[[(Z)-(3-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]hexanoate Openeye Name: sodium 6-[[(Z)-(3-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]hexanoate CAS Name: sodium 6-[[(Z)-(3-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)-phenylmethyl]amino]hexanoate IUPAC Name: sodium 6-[[(Z)-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]hexanoate Traditional Name: sodium 6-[[(Z)-(3-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]hexanoate Formula: C19H19FNNaO3 MolecularWeight: 351.347233

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C=C(C=CC2=O)F)NCCCCCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C/2\C=C(C=CC2=O)F)/NCCCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C19H20FNO3.Na/c20-15-10-11-17(22)16(13-15)19(14-7-3-1-4-8-14)21-12-6-2-5-9-18(23)24;/h1,3-4,7-8,10-11,13,21H,2,5-6,9,12H2,(H,23,24);/q;+1/p-1/b19-16-;