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

Systemtic Name: 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3,4-dihydrochromene-4-carboxylic acid Openeye Name: 5-benzyloxy-7-(1,1-dimethylheptyl)-2,2-dimethyl-chromane-4-carboxylic acid CAS Name: 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid IUPAC Name: 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3,4-dihydrochromene-4-carboxylic acid Traditional Name: 5-benzoxy-7-(1,1-dimethylheptyl)-2,2-dimethyl-chroman-4-carboxylic acid Formula: C28H38O4 MolecularWeight: 438.59892

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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)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC2=C(C(CC(O2)(C)C)C(=O)O)C(=C1)OCC3=CC=CC=C3

InChI

InChI=1S/C28H38O4/c1-6-7-8-12-15-27(2,3)21-16-23(31-19-20-13-10-9-11-14-20)25-22(26(29)30)18-28(4,5)32-24(25)17-21/h9-11,13-14,16-17,22H,6-8,12,15,18-19H2,1-5H3,(H,29,30)