octan-2-yl 4-[4-[3-(3-fluoranyl-4-tetradecoxy-phenyl)prop-2-ynoyloxy]phenyl]benzoate

Systemtic Name: octan-2-yl 4-[4-[3-(3-fluoranyl-4-tetradecoxy-phenyl)prop-2-ynoyloxy]phenyl]benzoate Openeye Name: 1-methylheptyl 4-[4-[3-(3-fluoro-4-tetradecoxy-phenyl)prop-2-ynoyloxy]phenyl]benzoate CAS Name: 4-[4-[3-(3-fluoro-4-tetradecoxyphenyl)-1-oxoprop-2-ynoxy]phenyl]benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-[4-[3-(3-fluoro-4-tetradecoxyphenyl)prop-2-ynoyloxy]phenyl]benzoate Traditional Name: 4-[4-[3-(3-fluoro-4-myristyloxy-phenyl)propioloyl]oxyphenyl]benzoic acid 1-methylheptyl ester Formula: C44H57FO5 MolecularWeight: 684.918783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C#CC(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(C)CCCCCC)F

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C#CC(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(C)CCCCCC)F

InChI

InChI=1S/C44H57FO5/c1-4-6-8-10-11-12-13-14-15-16-17-19-33-48-42-31-21-36(34-41(42)45)22-32-43(46)50-40-29-27-38(28-30-40)37-23-25-39(26-24-37)44(47)49-35(3)20-18-9-7-5-2/h21,23-31,34-35H,4-20,33H2,1-3H3