3-[3-(4-bromophenyl)-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl]propanoate

Systemtic Name: 3-[3-(4-bromophenyl)-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl]propanoate Openeye Name: 3-[3-(4-bromophenyl)-5,9-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl]propanoate CAS Name: 3-[3-(4-bromophenyl)-5,9-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl]propanoate IUPAC Name: 3-[3-(4-bromophenyl)-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl]propanoate Traditional Name: 3-[3-(4-bromophenyl)-7-keto-5,9-dimethyl-furo[3,2-g]chromen-6-yl]propionate Formula: C22H16BrO5- MolecularWeight: 440.26344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C4=CC=C(C=C4)Br)CCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C4=CC=C(C=C4)Br)CCC(=O)[O-]

InChI

InChI=1S/C22H17BrO5/c1-11-15(7-8-19(24)25)22(26)28-21-12(2)20-17(9-16(11)21)18(10-27-20)13-3-5-14(23)6-4-13/h3-6,9-10H,7-8H2,1-2H3,(H,24,25)/p-1