4-[(6-chloranyl-7-methyl-4-oxidanylidene-2-phenyl-chromen-3-yl)oxymethyl]benzoic acid

Systemtic Name: 4-[(6-chloranyl-7-methyl-4-oxidanylidene-2-phenyl-chromen-3-yl)oxymethyl]benzoic acid Openeye Name: 4-[(6-chloro-7-methyl-4-oxo-2-phenyl-chromen-3-yl)oxymethyl]benzoic acid CAS Name: 4-[(6-chloro-7-methyl-4-oxo-2-phenyl-1-benzopyran-3-yl)oxymethyl]benzoic acid IUPAC Name: 4-[(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxymethyl]benzoic acid Traditional Name: 4-[(6-chloro-4-keto-7-methyl-2-phenyl-chromen-3-yl)oxymethyl]benzoic acid Formula: C24H17ClO5 MolecularWeight: 420.84178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=C(C2=O)OCC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=C(C2=O)OCC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H17ClO5/c1-14-11-20-18(12-19(14)25)21(26)23(22(30-20)16-5-3-2-4-6-16)29-13-15-7-9-17(10-8-15)24(27)28/h2-12H,13H2,1H3,(H,27,28)