4-[4-(4-hex-5-enoxyphenyl)phenyl]-1-pentyl-bicyclo[2.2.2]octane

Systemtic Name: 4-[4-(4-hex-5-enoxyphenyl)phenyl]-1-pentyl-bicyclo[2.2.2]octane Openeye Name: 4-[4-(4-hex-5-enoxyphenyl)phenyl]-1-pentyl-bicyclo[2.2.2]octane CAS Name: 4-[4-(4-hex-5-enoxyphenyl)phenyl]-1-pentylbicyclo[2.2.2]octane IUPAC Name: 4-[4-(4-hex-5-enoxyphenyl)phenyl]-1-pentylbicyclo[2.2.2]octane Traditional Name: 1-amyl-4-[4-(4-hex-5-enoxyphenyl)phenyl]bicyclo[2.2.2]octane Formula: C31H42O MolecularWeight: 430.66458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)C4=CC=C(C=C4)OCCCCC=C

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)C4=CC=C(C=C4)OCCCCC=C

InChI

InChI=1S/C31H42O/c1-3-5-7-9-25-32-29-16-12-27(13-17-29)26-10-14-28(15-11-26)31-22-19-30(20-23-31,21-24-31)18-8-6-4-2/h3,10-17H,1,4-9,18-25H2,2H3