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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC4=CC=CC(=C4)C(=O)O

InChI

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