2,2-dimethyl-7-(2-methyloctan-2-yl)-5-oxidanyl-3,4-dihydrochromene-4-carboxylic acid

Systemtic Name: 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-oxidanyl-3,4-dihydrochromene-4-carboxylic acid Openeye Name: 7-(1,1-dimethylheptyl)-5-hydroxy-2,2-dimethyl-chromane-4-carboxylic acid CAS Name: 5-hydroxy-2,2-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid IUPAC Name: 5-hydroxy-2,2-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydrochromene-4-carboxylic acid Traditional Name: 7-(1,1-dimethylheptyl)-5-hydroxy-2,2-dimethyl-chroman-4-carboxylic acid Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O4/c1-6-7-8-9-10-20(2,3)14-11-16(22)18-15(19(23)24)13-21(4,5)25-17(18)12-14/h11-12,15,22H,6-10,13H2,1-5H3,(H,23,24)