methyl 4-(4-methoxycarbonylphenyl)-3-[2-(4-octoxyphenyl)ethynyl]benzoate

Systemtic Name: methyl 4-(4-methoxycarbonylphenyl)-3-[2-(4-octoxyphenyl)ethynyl]benzoate Openeye Name: methyl 4-(4-methoxycarbonylphenyl)-3-[2-(4-octoxyphenyl)ethynyl]benzoate CAS Name: 4-(4-methoxycarbonylphenyl)-3-[2-(4-octoxyphenyl)ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methoxycarbonylphenyl)-3-[2-(4-octoxyphenyl)ethynyl]benzoate Traditional Name: 4-(4-carbomethoxyphenyl)-3-[2-(4-octoxyphenyl)ethynyl]benzoic acid methyl ester Formula: C32H34O5 MolecularWeight: 498.60936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C#CC2=C(C=CC(=C2)C(=O)OC)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C#CC2=C(C=CC(=C2)C(=O)OC)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C32H34O5/c1-4-5-6-7-8-9-22-37-29-19-11-24(12-20-29)10-13-27-23-28(32(34)36-3)18-21-30(27)25-14-16-26(17-15-25)31(33)35-2/h11-12,14-21,23H,4-9,22H2,1-3H3