(2-bromanyl-4-methoxycarbonyl-phenyl)methyl 9H-xanthene-9-carboxylate

Systemtic Name: (2-bromanyl-4-methoxycarbonyl-phenyl)methyl 9H-xanthene-9-carboxylate Openeye Name: (2-bromo-4-methoxycarbonyl-phenyl)methyl 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid (2-bromo-4-methoxycarbonylphenyl)methyl ester IUPAC Name: (2-bromo-4-methoxycarbonylphenyl)methyl 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid (2-bromo-4-carbomethoxy-benzyl) ester Formula: C23H17BrO5 MolecularWeight: 453.28208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17BrO5/c1-27-22(25)14-10-11-15(18(24)12-14)13-28-23(26)21-16-6-2-4-8-19(16)29-20-9-5-3-7-17(20)21/h2-12,21H,13H2,1H3