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

Systemtic Name: sodium 4-[[(Z)-(3-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]heptanoate Openeye Name: sodium 4-[[(Z)-(3-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]heptanoate CAS Name: sodium 4-[[(Z)-(3-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)-phenylmethyl]amino]heptanoate IUPAC Name: sodium 4-[[(Z)-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]heptanoate Traditional Name: sodium 4-[[(Z)-(3-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]enanthate Formula: C20H21FNNaO3 MolecularWeight: 365.373813

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(=O)[O-])NC(=C1C=C(C=CC1=O)F)C2=CC=CC=C2.[Na+]

Isomeric SMILES

CCCC(CCC(=O)[O-])N/C(=C\1/C=C(C=CC1=O)F)/C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C20H22FNO3.Na/c1-2-6-16(10-12-19(24)25)22-20(14-7-4-3-5-8-14)17-13-15(21)9-11-18(17)23;/h3-5,7-9,11,13,16,22H,2,6,10,12H2,1H3,(H,24,25);/q;+1/p-1/b20-17-;