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

Systemtic Name: heptan-4-yl 4-[4-[3-(4-nonoxyphenyl)prop-2-ynoyloxy]phenyl]benzoate Openeye Name: 1-propylbutyl 4-[4-[3-(4-nonoxyphenyl)prop-2-ynoyloxy]phenyl]benzoate CAS Name: 4-[4-[3-(4-nonoxyphenyl)-1-oxoprop-2-ynoxy]phenyl]benzoic acid heptan-4-yl ester IUPAC Name: heptan-4-yl 4-[4-[3-(4-nonoxyphenyl)prop-2-ynoyloxy]phenyl]benzoate Traditional Name: 4-[4-[3-(4-nonoxyphenyl)propioloyl]oxyphenyl]benzoic acid 1-propylbutyl ester Formula: C38H46O5 MolecularWeight: 582.76884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C#CC(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(CCC)CCC

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C#CC(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(CCC)CCC

InChI

InChI=1S/C38H46O5/c1-4-7-8-9-10-11-12-29-41-34-24-15-30(16-25-34)17-28-37(39)42-36-26-22-32(23-27-36)31-18-20-33(21-19-31)38(40)43-35(13-5-2)14-6-3/h15-16,18-27,35H,4-14,29H2,1-3H3