1-acetyloxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene-9-carboxylic acid

Systemtic Name: 1-acetyloxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene-9-carboxylic acid Openeye Name: 1-acetoxy-3-(1,1-dimethylheptyl)-6,6-dimethyl-benzo[c]chromene-9-carboxylic acid CAS Name: 1-acetyloxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-9-benzo[c][1]benzopyrancarboxylic acid IUPAC Name: 1-acetyloxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene-9-carboxylic acid Traditional Name: 1-acetoxy-3-(1,1-dimethylheptyl)-6,6-dimethyl-benzo[c]chromene-9-carboxylic acid Formula: C27H34O5 MolecularWeight: 438.55586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34O5/c1-7-8-9-10-13-26(3,4)19-15-22(31-17(2)28)24-20-14-18(25(29)30)11-12-21(20)27(5,6)32-23(24)16-19/h11-12,14-16H,7-10,13H2,1-6H3,(H,29,30)