2-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-methylpropoxy)-4-oxidanylidene-chromene-6-carboxylic acid

Systemtic Name: 2-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-methylpropoxy)-4-oxidanylidene-chromene-6-carboxylic acid Openeye Name: 3-isobutoxy-2-[(E)-2-(o-tolyl)vinyl]-4-oxo-chromene-6-carboxylic acid CAS Name: 2-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-methylpropoxy)-4-oxo-1-benzopyran-6-carboxylic acid IUPAC Name: 2-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-methylpropoxy)-4-oxochromene-6-carboxylic acid Traditional Name: 3-isobutoxy-4-keto-2-[(E)-2-(o-tolyl)vinyl]chromene-6-carboxylic acid Formula: C23H22O5 MolecularWeight: 378.41778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC2=C(C(=O)C3=C(O2)C=CC(=C3)C(=O)O)OCC(C)C

Isomeric SMILES

CC1=CC=CC=C1/C=C/C2=C(C(=O)C3=C(O2)C=CC(=C3)C(=O)O)OCC(C)C

InChI

InChI=1S/C23H22O5/c1-14(2)13-27-22-20(11-8-16-7-5-4-6-15(16)3)28-19-10-9-17(23(25)26)12-18(19)21(22)24/h4-12,14H,13H2,1-3H3,(H,25,26)/b11-8+