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

Systemtic Name: 4-[[6-chloranyl-7-methyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoic acid Openeye Name: 4-[[6-chloro-7-methyl-4-oxo-2-(p-tolyl)chromen-3-yl]oxymethyl]benzoic acid CAS Name: 4-[[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxo-1-benzopyran-3-yl]oxymethyl]benzoic acid IUPAC Name: 4-[[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxymethyl]benzoic acid Traditional Name: 4-[[6-chloro-4-keto-7-methyl-2-(p-tolyl)chromen-3-yl]oxymethyl]benzoic acid Formula: C25H19ClO5 MolecularWeight: 434.86836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=C(C=C3O2)C)Cl)OCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=C(C=C3O2)C)Cl)OCC4=CC=C(C=C4)C(=O)O

InChI

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