6-bromanyl-2-phenyl-chromen-4-one; 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylic acid

Systemtic Name: 6-bromanyl-2-phenyl-chromen-4-one; 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylic acid Openeye Name: 6-bromo-2-phenyl-chromen-4-one; 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylic acid CAS Name: 6-bromo-2-phenyl-1-benzopyran-4-one; 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid IUPAC Name: 6-bromo-2-phenylchromen-4-one; 3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid Traditional Name: 6-bromo-2-phenyl-chromone; 4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid Formula: C32H21BrO6 MolecularWeight: 581.40954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)O)C3=CC=CC=C3.C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)Br

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)O)C3=CC=CC=C3.C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)Br

InChI

InChI=1S/C17H12O4.C15H9BrO2/c1-10-14(18)12-8-5-9-13(17(19)20)16(12)21-15(10)11-6-3-2-4-7-11;16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h2-9H,1H3,(H,19,20);1-9H