methyl 3-(3-bromanyl-7-methoxy-2,2-dimethyl-4-oxidanylidene-chromen-3-yl)propanoate

Systemtic Name: methyl 3-(3-bromanyl-7-methoxy-2,2-dimethyl-4-oxidanylidene-chromen-3-yl)propanoate Openeye Name: methyl 3-(3-bromo-7-methoxy-2,2-dimethyl-4-oxo-chroman-3-yl)propanoate CAS Name: 3-(3-bromo-7-methoxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(3-bromo-7-methoxy-2,2-dimethyl-4-oxochromen-3-yl)propanoate Traditional Name: 3-(3-bromo-4-keto-7-methoxy-2,2-dimethyl-chroman-3-yl)propionic acid methyl ester Formula: C16H19BrO5 MolecularWeight: 371.22306

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)C2=C(O1)C=C(C=C2)OC)(CCC(=O)OC)Br)C

Isomeric SMILES

CC1(C(C(=O)C2=C(O1)C=C(C=C2)OC)(CCC(=O)OC)Br)C

InChI

InChI=1S/C16H19BrO5/c1-15(2)16(17,8-7-13(18)21-4)14(19)11-6-5-10(20-3)9-12(11)22-15/h5-6,9H,7-8H2,1-4H3