(5-bromanyl-2-methoxy-phenyl)methyl 9H-xanthene-9-carboxylate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 9H-xanthene-9-carboxylate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid (5-bromo-2-methoxy-benzyl) ester Formula: C22H17BrO4 MolecularWeight: 425.27198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

COC1=C(C=C(C=C1)Br)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C22H17BrO4/c1-25-18-11-10-15(23)12-14(18)13-26-22(24)21-16-6-2-4-8-19(16)27-20-9-5-3-7-17(20)21/h2-12,21H,13H2,1H3