3-[7-[(3-bromophenyl)methoxy]-4,8-dimethyl-2-oxidanylidene-chromen-3-yl]propanoic acid

Systemtic Name: 3-[7-[(3-bromophenyl)methoxy]-4,8-dimethyl-2-oxidanylidene-chromen-3-yl]propanoic acid Openeye Name: 3-[7-[(3-bromophenyl)methoxy]-4,8-dimethyl-2-oxo-chromen-3-yl]propanoic acid CAS Name: 3-[7-[(3-bromophenyl)methoxy]-4,8-dimethyl-2-oxo-1-benzopyran-3-yl]propanoic acid IUPAC Name: 3-[7-[(3-bromophenyl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]propanoic acid Traditional Name: 3-[7-(3-bromobenzyl)oxy-2-keto-4,8-dimethyl-chromen-3-yl]propionic acid Formula: C21H19BrO5 MolecularWeight: 431.27656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC(=CC=C3)Br)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC(=CC=C3)Br)CCC(=O)O

InChI

InChI=1S/C21H19BrO5/c1-12-16-6-8-18(26-11-14-4-3-5-15(22)10-14)13(2)20(16)27-21(25)17(12)7-9-19(23)24/h3-6,8,10H,7,9,11H2,1-2H3,(H,23,24)