sodium 5-[[(Z)-(3-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]pentanoate

Systemtic Name: sodium 5-[[(Z)-(3-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]pentanoate Openeye Name: sodium 5-[[(Z)-(3-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]pentanoate CAS Name: sodium 5-[[(Z)-(3-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)-phenylmethyl]amino]pentanoate IUPAC Name: sodium 5-[[(Z)-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]pentanoate Traditional Name: sodium 5-[[(Z)-(3-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]valerate Formula: C18H17FNNaO3 MolecularWeight: 337.320653

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FNO3.Na/c19-14-9-10-16(21)15(12-14)18(13-6-2-1-3-7-13)20-11-5-4-8-17(22)23;/h1-3,6-7,9-10,12,20H,4-5,8,11H2,(H,22,23);/q;+1/p-1/b18-15-;