2-ethylhexyl 4-(3,4-dimethylphenyl)carbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate

Systemtic Name: 2-ethylhexyl 4-(3,4-dimethylphenyl)carbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate Openeye Name: 2-ethylhexyl 4-(3,4-dimethylbenzoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate CAS Name: 4-[(3,4-dimethylphenyl)-oxomethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-(3,4-dimethylbenzoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate Traditional Name: 4-(3,4-dimethylbenzoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid 2-ethylhexyl ester Formula: C24H32O4 MolecularWeight: 384.50848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1CC2(C=CC1O2)C(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCC(CC)COC(=O)C1CC2(C=CC1O2)C(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C24H32O4/c1-5-7-8-18(6-2)15-27-23(26)20-14-24(12-11-21(20)28-24)22(25)19-10-9-16(3)17(4)13-19/h9-13,18,20-21H,5-8,14-15H2,1-4H3