1-pent-4-ynoyloxyhexyl 4-(4-nonoxyphenyl)benzoate

Systemtic Name: 1-pent-4-ynoyloxyhexyl 4-(4-nonoxyphenyl)benzoate Openeye Name: 1-pent-4-ynoyloxyhexyl 4-(4-nonoxyphenyl)benzoate CAS Name: 4-(4-nonoxyphenyl)benzoic acid 1-(1-oxopent-4-ynoxy)hexyl ester IUPAC Name: 1-pent-4-ynoyloxyhexyl 4-(4-nonoxyphenyl)benzoate Traditional Name: 4-(4-nonoxyphenyl)benzoic acid 1-pent-4-ynoyloxyhexyl ester Formula: C33H44O5 MolecularWeight: 520.69946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H44O5/c1-4-7-10-11-12-13-15-26-36-30-24-22-28(23-25-30)27-18-20-29(21-19-27)33(35)38-32(17-14-8-5-2)37-31(34)16-9-6-3/h3,18-25,32H,4-5,7-17,26H2,1-2H3