4-(4-dodecylphenyl)carbonyl-2-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carbaldehyde

Systemtic Name: 4-(4-dodecylphenyl)carbonyl-2-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carbaldehyde Openeye Name: 4-(4-dodecylbenzoyl)-2-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carbaldehyde CAS Name: 4-[(4-dodecylphenyl)-oxomethyl]-2-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxaldehyde IUPAC Name: 4-(4-dodecylbenzoyl)-2-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carbaldehyde Traditional Name: 4-(4-laurylbenzoyl)-2-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carbaldehyde Formula: C27H38O3 MolecularWeight: 410.58882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C23CC(C(O2)C=C3)(C)C=O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C23CC(C(O2)C=C3)(C)C=O

InChI

InChI=1S/C27H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-22-14-16-23(17-15-22)25(29)27-19-18-24(30-27)26(2,20-27)21-28/h14-19,21,24H,3-13,20H2,1-2H3