7-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-3-hexyl-4,8-dimethyl-chromen-2-one

Systemtic Name: 7-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-3-hexyl-4,8-dimethyl-chromen-2-one Openeye Name: 7-[2-(4-bromophenyl)-2-oxo-ethoxy]-3-hexyl-4,8-dimethyl-chromen-2-one CAS Name: 7-[2-(4-bromophenyl)-2-oxoethoxy]-3-hexyl-4,8-dimethyl-1-benzopyran-2-one IUPAC Name: 7-[2-(4-bromophenyl)-2-oxoethoxy]-3-hexyl-4,8-dimethylchromen-2-one Traditional Name: 7-[2-(4-bromophenyl)-2-keto-ethoxy]-3-hexyl-4,8-dimethyl-coumarin Formula: C25H27BrO4 MolecularWeight: 471.38348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C(=C(C=C2)OCC(=O)C3=CC=C(C=C3)Br)C)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C(=C(C=C2)OCC(=O)C3=CC=C(C=C3)Br)C)OC1=O)C

InChI

InChI=1S/C25H27BrO4/c1-4-5-6-7-8-21-16(2)20-13-14-23(17(3)24(20)30-25(21)28)29-15-22(27)18-9-11-19(26)12-10-18/h9-14H,4-8,15H2,1-3H3