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

Systemtic Name: octan-2-yl 4-[4-[3-(3-fluoranyl-4-tridecoxy-phenyl)prop-2-ynoyloxy]phenyl]benzoate Openeye Name: 1-methylheptyl 4-[4-[3-(3-fluoro-4-tridecoxy-phenyl)prop-2-ynoyloxy]phenyl]benzoate CAS Name: 4-[4-[3-(3-fluoro-4-tridecoxyphenyl)-1-oxoprop-2-ynoxy]phenyl]benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-[4-[3-(3-fluoro-4-tridecoxyphenyl)prop-2-ynoyloxy]phenyl]benzoate Traditional Name: 4-[4-[3-(3-fluoro-4-tridecoxy-phenyl)propioloyl]oxyphenyl]benzoic acid 1-methylheptyl ester Formula: C43H55FO5 MolecularWeight: 670.892203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=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

CCCCCCCCCCCCCOC1=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/C43H55FO5/c1-4-6-8-10-11-12-13-14-15-16-18-32-47-41-30-20-35(33-40(41)44)21-31-42(45)49-39-28-26-37(27-29-39)36-22-24-38(25-23-36)43(46)48-34(3)19-17-9-7-5-2/h20,22-30,33-34H,4-19,32H2,1-3H3