sodium 11-[[(Z)-(3-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]undecanoate

Systemtic Name: sodium 11-[[(Z)-(3-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]undecanoate Openeye Name: sodium 11-[[(Z)-(3-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]undecanoate CAS Name: sodium 11-[[(Z)-(3-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)-phenylmethyl]amino]undecanoate IUPAC Name: sodium 11-[[(Z)-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]undecanoate Traditional Name: sodium 11-[[(Z)-(3-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]undecanoate Formula: C24H29FNNaO3 MolecularWeight: 421.480133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30FNO3.Na/c25-20-15-16-22(27)21(18-20)24(19-12-8-7-9-13-19)26-17-11-6-4-2-1-3-5-10-14-23(28)29;/h7-9,12-13,15-16,18,26H,1-6,10-11,14,17H2,(H,28,29);/q;+1/p-1/b24-21-;