4-methylhexyl 6-[4-(3-fluoranyl-4-prop-1-ynyl-phenyl)phenyl]carbonyloxynaphthalene-2-carboxylate

Systemtic Name: 4-methylhexyl 6-[4-(3-fluoranyl-4-prop-1-ynyl-phenyl)phenyl]carbonyloxynaphthalene-2-carboxylate Openeye Name: 4-methylhexyl 6-[4-(3-fluoro-4-prop-1-ynyl-phenyl)benzoyl]oxynaphthalene-2-carboxylate CAS Name: 6-[[4-(3-fluoro-4-prop-1-ynylphenyl)phenyl]-oxomethoxy]-2-naphthalenecarboxylic acid 4-methylhexyl ester IUPAC Name: 4-methylhexyl 6-[4-(3-fluoro-4-prop-1-ynylphenyl)benzoyl]oxynaphthalene-2-carboxylate Traditional Name: 6-[4-(3-fluoro-4-prop-1-ynyl-phenyl)benzoyl]oxynaphthalene-2-carboxylic acid 4-methylhexyl ester Formula: C34H31FO4 MolecularWeight: 522.605943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCOC(=O)C1=CC2=C(C=C1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)C4=CC(=C(C=C4)C#CC)F

Isomeric SMILES

CCC(C)CCCOC(=O)C1=CC2=C(C=C1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)C4=CC(=C(C=C4)C#CC)F

InChI

InChI=1S/C34H31FO4/c1-4-7-25-11-14-29(22-32(25)35)24-9-12-26(13-10-24)34(37)39-31-18-17-27-20-30(16-15-28(27)21-31)33(36)38-19-6-8-23(3)5-2/h9-18,20-23H,5-6,8,19H2,1-3H3