O9-tert-butyl O2-(phenylmethyl) 7-bromanyl-9H-xanthene-2,9-dicarboxylate

Systemtic Name: O9-tert-butyl O2-(phenylmethyl) 7-bromanyl-9H-xanthene-2,9-dicarboxylate Openeye Name: O2-benzyl O9-tert-butyl 7-bromo-9H-xanthene-2,9-dicarboxylate CAS Name: 7-bromo-9H-xanthene-2,9-dicarboxylic acid O9-tert-butyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 9-O-tert-butyl 7-bromo-9H-xanthene-2,9-dicarboxylate Traditional Name: 7-bromo-9H-xanthene-2,9-dicarboxylic acid O2-benzyl ester O9-tert-butyl ester Formula: C26H23BrO5 MolecularWeight: 495.36182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3)OC4=C1C=C(C=C4)Br

Isomeric SMILES

CC(C)(C)OC(=O)C1C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3)OC4=C1C=C(C=C4)Br

InChI

InChI=1S/C26H23BrO5/c1-26(2,3)32-25(29)23-19-13-17(24(28)30-15-16-7-5-4-6-8-16)9-11-21(19)31-22-12-10-18(27)14-20(22)23/h4-14,23H,15H2,1-3H3