heptyl 1-methyl-4-(4-octoxyphenyl)carbonyloxy-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: heptyl 1-methyl-4-(4-octoxyphenyl)carbonyloxy-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: heptyl 1-methyl-4-(4-octoxybenzoyl)oxy-6-oxo-cyclohexa-2,4-diene-1-carboxylate CAS Name: 1-methyl-4-[(4-octoxyphenyl)-oxomethoxy]-6-oxo-1-cyclohexa-2,4-dienecarboxylic acid heptyl ester IUPAC Name: heptyl 1-methyl-4-(4-octoxybenzoyl)oxy-6-oxocyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-keto-1-methyl-4-(4-octoxybenzoyl)oxy-cyclohexa-2,4-diene-1-carboxylic acid heptyl ester Formula: C30H42O6 MolecularWeight: 498.65088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=O)C(C=C2)(C)C(=O)OCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=O)C(C=C2)(C)C(=O)OCCCCCCC

InChI

InChI=1S/C30H42O6/c1-4-6-8-10-12-13-21-34-25-17-15-24(16-18-25)28(32)36-26-19-20-30(3,27(31)23-26)29(33)35-22-14-11-9-7-5-2/h15-20,23H,4-14,21-22H2,1-3H3