methyl 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-oxidanyl-3,4-dihydrochromene-4-carboxylate

Systemtic Name: methyl 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-oxidanyl-3,4-dihydrochromene-4-carboxylate Openeye Name: methyl 7-(1,1-dimethylheptyl)-5-hydroxy-2,2-dimethyl-chromane-4-carboxylate CAS Name: 5-hydroxy-2,2-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-2,2-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydrochromene-4-carboxylate Traditional Name: 7-(1,1-dimethylheptyl)-5-hydroxy-2,2-dimethyl-chroman-4-carboxylic acid methyl ester Formula: C22H34O4 MolecularWeight: 362.50296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC2=C(C(CC(O2)(C)C)C(=O)OC)C(=C1)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC2=C(C(CC(O2)(C)C)C(=O)OC)C(=C1)O

InChI

InChI=1S/C22H34O4/c1-7-8-9-10-11-21(2,3)15-12-17(23)19-16(20(24)25-6)14-22(4,5)26-18(19)13-15/h12-13,16,23H,7-11,14H2,1-6H3