hept-1-ynyl 4-[1-(4-heptoxyphenyl)ethyl]-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: hept-1-ynyl 4-[1-(4-heptoxyphenyl)ethyl]-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: hept-1-ynyl 4-[1-(4-heptoxyphenyl)ethyl]-1-methyl-6-oxo-cyclohexa-2,4-diene-1-carboxylate CAS Name: 4-[1-(4-heptoxyphenyl)ethyl]-1-methyl-6-oxo-1-cyclohexa-2,4-dienecarboxylic acid hept-1-ynyl ester IUPAC Name: hept-1-ynyl 4-[1-(4-heptoxyphenyl)ethyl]-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate Traditional Name: 4-[1-(4-heptoxyphenyl)ethyl]-6-keto-1-methyl-cyclohexa-2,4-diene-1-carboxylic acid hept-1-ynyl ester Formula: C30H40O4 MolecularWeight: 464.6362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(C)C2=CC(=O)C(C=C2)(C)C(=O)OC#CCCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(C)C2=CC(=O)C(C=C2)(C)C(=O)OC#CCCCCC

InChI

InChI=1S/C30H40O4/c1-5-7-9-11-13-21-33-27-17-15-25(16-18-27)24(3)26-19-20-30(4,28(31)23-26)29(32)34-22-14-12-10-8-6-2/h15-20,23-24H,5-13,21H2,1-4H3