(4-chloranyl-3,5-dimethyl-phenyl) 6,8-bis(bromanyl)-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) 6,8-bis(bromanyl)-2-oxidanylidene-chromene-3-carboxylate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) 6,8-dibromo-2-oxo-chromene-3-carboxylate CAS Name: 6,8-dibromo-2-oxo-1-benzopyran-3-carboxylic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) 6,8-dibromo-2-oxochromene-3-carboxylate Traditional Name: 6,8-dibromo-2-keto-chromene-3-carboxylic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C18H11Br2ClO4 MolecularWeight: 486.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br

InChI

InChI=1S/C18H11Br2ClO4/c1-8-3-12(4-9(2)15(8)21)24-17(22)13-6-10-5-11(19)7-14(20)16(10)25-18(13)23/h3-7H,1-2H3