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

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 9H-xanthene-9-carboxylate Openeye Name: (2-bromo-4-methyl-phenyl) 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid (2-bromo-4-methyl-phenyl) ester Formula: C21H15BrO3 MolecularWeight: 395.246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)Br

InChI

InChI=1S/C21H15BrO3/c1-13-10-11-19(16(22)12-13)25-21(23)20-14-6-2-4-8-17(14)24-18-9-5-3-7-15(18)20/h2-12,20H,1H3