4-(5-decyl-1H-pyridin-2-ylidene)-2-(2-fluoranylhexanoyl)cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(5-decyl-1H-pyridin-2-ylidene)-2-(2-fluoranylhexanoyl)cyclohexa-2,5-dien-1-one Openeye Name: 4-(5-decyl-1H-pyridin-2-ylidene)-2-(2-fluorohexanoyl)cyclohexa-2,5-dien-1-one CAS Name: 4-(5-decyl-1H-pyridin-2-ylidene)-2-(2-fluoro-1-oxohexyl)-1-cyclohexa-2,5-dienone IUPAC Name: 4-(5-decyl-1H-pyridin-2-ylidene)-2-(2-fluorohexanoyl)cyclohexa-2,5-dien-1-one Traditional Name: 4-(5-decyl-1H-pyridin-2-ylidene)-2-(2-fluorohexanoyl)cyclohexa-2,5-dien-1-one Formula: C27H38FNO2 MolecularWeight: 427.594523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CNC(=C2C=CC(=O)C(=C2)C(=O)C(CCCC)F)C=C1

Isomeric SMILES

CCCCCCCCCCC1=CNC(=C2C=CC(=O)C(=C2)C(=O)C(CCCC)F)C=C1

InChI

InChI=1S/C27H38FNO2/c1-3-5-7-8-9-10-11-12-13-21-15-17-25(29-20-21)22-16-18-26(30)23(19-22)27(31)24(28)14-6-4-2/h15-20,24,29H,3-14H2,1-2H3