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4-hex-1-ynyl-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid

4-hex-1-ynyl-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid

Systemtic Name:4-hex-1-ynyl-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid
Openeye Name:4-hex-1-ynyl-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid
CAS Name:4-hex-1-ynyl-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid
IUPAC Name:4-hex-1-ynyl-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid
Traditional Name:4-hex-1-ynyl-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid
Formula: C28H34O2
MolecularWeight: 402.56836
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC(=C(C=C1)C(=O)O)C2=CC=C(C=C2)C3CCC(CC3)CCC


Isomeric SMILES

CCCCC#CC1=CC(=C(C=C1)C(=O)O)C2=CC=C(C=C2)C3CCC(CC3)CCC


InChI

InChI=1S/C28H34O2/c1-3-5-6-7-9-22-12-19-26(28(29)30)27(20-22)25-17-15-24(16-18-25)23-13-10-21(8-4-2)11-14-23/h12,15-21,23H,3-6,8,10-11,13-14H2,1-2H3,(H,29,30)


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