heptan-4-yl 4-[3-(4-nonoxyphenyl)prop-2-ynoyloxy]benzoate

Systemtic Name: heptan-4-yl 4-[3-(4-nonoxyphenyl)prop-2-ynoyloxy]benzoate Openeye Name: 1-propylbutyl 4-[3-(4-nonoxyphenyl)prop-2-ynoyloxy]benzoate CAS Name: 4-[3-(4-nonoxyphenyl)-1-oxoprop-2-ynoxy]benzoic acid heptan-4-yl ester IUPAC Name: heptan-4-yl 4-[3-(4-nonoxyphenyl)prop-2-ynoyloxy]benzoate Traditional Name: 4-[3-(4-nonoxyphenyl)propioloyl]oxybenzoic acid 1-propylbutyl ester Formula: C32H42O5 MolecularWeight: 506.67288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C#CC(=O)OC2=CC=C(C=C2)C(=O)OC(CCC)CCC

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C#CC(=O)OC2=CC=C(C=C2)C(=O)OC(CCC)CCC

InChI

InChI=1S/C32H42O5/c1-4-7-8-9-10-11-12-25-35-28-20-15-26(16-21-28)17-24-31(33)36-30-22-18-27(19-23-30)32(34)37-29(13-5-2)14-6-3/h15-16,18-23,29H,4-14,25H2,1-3H3