octyl 4-(4-heptoxyphenyl)carbonyloxy-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1(C=CC(=CC1=O)OC(=O)C2=CC=C(C=C2)OCCCCCCC)C

Isomeric SMILES

CCCCCCCCOC(=O)C1(C=CC(=CC1=O)OC(=O)C2=CC=C(C=C2)OCCCCCCC)C

InChI

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