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

Systemtic Name: 3-[[2-(4-chlorophenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoate Openeye Name: 3-[[2-(4-chlorophenyl)-6,7-dimethyl-4-oxo-chromen-3-yl]oxymethyl]benzoate CAS Name: 3-[[2-(4-chlorophenyl)-6,7-dimethyl-4-oxo-1-benzopyran-3-yl]oxymethyl]benzoate IUPAC Name: 3-[[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxymethyl]benzoate Traditional Name: 3-[[2-(4-chlorophenyl)-4-keto-6,7-dimethyl-chromen-3-yl]oxymethyl]benzoate Formula: C25H18ClO5- MolecularWeight: 433.86042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)Cl)OCC4=CC=CC(=C4)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)Cl)OCC4=CC=CC(=C4)C(=O)[O-])C

InChI

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