oct-1-ynyl 4-[4-(4-hexoxyphenyl)phenyl]carbonyloxy-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: oct-1-ynyl 4-[4-(4-hexoxyphenyl)phenyl]carbonyloxy-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: oct-1-ynyl 4-[4-(4-hexoxyphenyl)benzoyl]oxy-1-methyl-6-oxo-cyclohexa-2,4-diene-1-carboxylate CAS Name: 4-[[4-(4-hexoxyphenyl)phenyl]-oxomethoxy]-1-methyl-6-oxo-1-cyclohexa-2,4-dienecarboxylic acid oct-1-ynyl ester IUPAC Name: oct-1-ynyl 4-[4-(4-hexoxyphenyl)benzoyl]oxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate Traditional Name: 4-[4-(4-hexoxyphenyl)benzoyl]oxy-6-keto-1-methyl-cyclohexa-2,4-diene-1-carboxylic acid oct-1-ynyl ester Formula: C35H40O6 MolecularWeight: 556.6885

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#COC(=O)C1(C=CC(=CC1=O)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCC)C

Isomeric SMILES

CCCCCCC#COC(=O)C1(C=CC(=CC1=O)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCC)C

InChI

InChI=1S/C35H40O6/c1-4-6-8-10-11-13-25-40-34(38)35(3)23-22-31(26-32(35)36)41-33(37)29-16-14-27(15-17-29)28-18-20-30(21-19-28)39-24-12-9-7-5-2/h14-23,26H,4-12,24H2,1-3H3