2-[4-[(E)-2-fluoranyloct-1-enyl]phenyl]-4-(4-propylcyclohexyl)benzoic acid

Systemtic Name: 2-[4-[(E)-2-fluoranyloct-1-enyl]phenyl]-4-(4-propylcyclohexyl)benzoic acid Openeye Name: 2-[4-[(E)-2-fluorooct-1-enyl]phenyl]-4-(4-propylcyclohexyl)benzoic acid CAS Name: 2-[4-[(E)-2-fluorooct-1-enyl]phenyl]-4-(4-propylcyclohexyl)benzoic acid IUPAC Name: 2-[4-[(E)-2-fluorooct-1-enyl]phenyl]-4-(4-propylcyclohexyl)benzoic acid Traditional Name: 2-[4-[(E)-2-fluorooct-1-enyl]phenyl]-4-(4-propylcyclohexyl)benzoic acid Formula: C30H39FO2 MolecularWeight: 450.627863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=CC1=CC=C(C=C1)C2=C(C=CC(=C2)C3CCC(CC3)CCC)C(=O)O)F

Isomeric SMILES

CCCCCC/C(=C\C1=CC=C(C=C1)C2=C(C=CC(=C2)C3CCC(CC3)CCC)C(=O)O)/F

InChI

InChI=1S/C30H39FO2/c1-3-5-6-7-9-27(31)20-23-12-16-25(17-13-23)29-21-26(18-19-28(29)30(32)33)24-14-10-22(8-4-2)11-15-24/h12-13,16-22,24H,3-11,14-15H2,1-2H3,(H,32,33)/b27-20+