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

Systemtic Name: octan-2-yl 4-[4-[3-(4-tetradecoxyphenyl)prop-2-ynoyloxy]phenyl]benzoate Openeye Name: 1-methylheptyl 4-[4-[3-(4-tetradecoxyphenyl)prop-2-ynoyloxy]phenyl]benzoate CAS Name: 4-[4-[1-oxo-3-(4-tetradecoxyphenyl)prop-2-ynoxy]phenyl]benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-[4-[3-(4-tetradecoxyphenyl)prop-2-ynoyloxy]phenyl]benzoate Traditional Name: 4-[4-[3-(4-myristyloxyphenyl)propioloyl]oxyphenyl]benzoic acid 1-methylheptyl ester Formula: C44H58O5 MolecularWeight: 666.92832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H58O5/c1-4-6-8-10-11-12-13-14-15-16-17-19-35-47-41-30-21-37(22-31-41)23-34-43(45)49-42-32-28-39(29-33-42)38-24-26-40(27-25-38)44(46)48-36(3)20-18-9-7-5-2/h21-22,24-33,36H,4-20,35H2,1-3H3