4-[[2-(2-chlorophenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[2-(2-chlorophenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoic acid Openeye Name: 4-[[2-(2-chlorophenyl)-6,7-dimethyl-4-oxo-chromen-3-yl]oxymethyl]benzoic acid CAS Name: 4-[[2-(2-chlorophenyl)-6,7-dimethyl-4-oxo-1-benzopyran-3-yl]oxymethyl]benzoic acid IUPAC Name: 4-[[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxymethyl]benzoic acid Traditional Name: 4-[[2-(2-chlorophenyl)-4-keto-6,7-dimethyl-chromen-3-yl]oxymethyl]benzoic acid Formula: C25H19ClO5 MolecularWeight: 434.86836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=CC=C3Cl)OCC4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=CC=C3Cl)OCC4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C25H19ClO5/c1-14-11-19-21(12-15(14)2)31-23(18-5-3-4-6-20(18)26)24(22(19)27)30-13-16-7-9-17(10-8-16)25(28)29/h3-12H,13H2,1-2H3,(H,28,29)