1-[(E)-4-(4-butylcyclohexyl)but-3-en-1-ynyl]-2-fluoranyl-4-pentoxy-benzene

Systemtic Name: 1-[(E)-4-(4-butylcyclohexyl)but-3-en-1-ynyl]-2-fluoranyl-4-pentoxy-benzene Openeye Name: 1-[(E)-4-(4-butylcyclohexyl)but-3-en-1-ynyl]-2-fluoro-4-pentoxy-benzene CAS Name: 1-[(E)-4-(4-butylcyclohexyl)but-3-en-1-ynyl]-2-fluoro-4-pentoxybenzene IUPAC Name: 1-[(E)-4-(4-butylcyclohexyl)but-3-en-1-ynyl]-2-fluoro-4-pentoxybenzene Traditional Name: 4-amoxy-1-[(E)-4-(4-butylcyclohexyl)but-3-en-1-ynyl]-2-fluoro-benzene Formula: C25H35FO MolecularWeight: 370.543203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=C(C=C1)C#CC=CC2CCC(CC2)CCCC)F

Isomeric SMILES

CCCCCOC1=CC(=C(C=C1)C#C/C=C/C2CCC(CC2)CCCC)F

InChI

InChI=1S/C25H35FO/c1-3-5-9-19-27-24-18-17-23(25(26)20-24)12-8-7-11-22-15-13-21(14-16-22)10-6-4-2/h7,11,17-18,20-22H,3-6,9-10,13-16,19H2,1-2H3/b11-7+