7-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-4-butyl-8-methyl-chromen-2-one

Systemtic Name: 7-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-4-butyl-8-methyl-chromen-2-one Openeye Name: 7-[2-(4-bromophenyl)-2-oxo-ethoxy]-4-butyl-8-methyl-chromen-2-one CAS Name: 7-[2-(4-bromophenyl)-2-oxoethoxy]-4-butyl-8-methyl-1-benzopyran-2-one IUPAC Name: 7-[2-(4-bromophenyl)-2-oxoethoxy]-4-butyl-8-methylchromen-2-one Traditional Name: 7-[2-(4-bromophenyl)-2-keto-ethoxy]-4-butyl-8-methyl-coumarin Formula: C22H21BrO4 MolecularWeight: 429.30374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H21BrO4/c1-3-4-5-16-12-21(25)27-22-14(2)20(11-10-18(16)22)26-13-19(24)15-6-8-17(23)9-7-15/h6-12H,3-5,13H2,1-2H3