2-bromanyl-7-phenylmethoxycarbonyl-9H-xanthene-9-carboxylic acid

Systemtic Name: 2-bromanyl-7-phenylmethoxycarbonyl-9H-xanthene-9-carboxylic acid Openeye Name: 2-benzyloxycarbonyl-7-bromo-9H-xanthene-9-carboxylic acid CAS Name: 2-bromo-7-phenylmethoxycarbonyl-9H-xanthene-9-carboxylic acid IUPAC Name: 2-bromo-7-phenylmethoxycarbonyl-9H-xanthene-9-carboxylic acid Traditional Name: 2-bromo-7-carbobenzoxy-9H-xanthene-9-carboxylic acid Formula: C22H15BrO5 MolecularWeight: 439.2555

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)OC4=C(C3C(=O)O)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)OC4=C(C3C(=O)O)C=C(C=C4)Br

InChI

InChI=1S/C22H15BrO5/c23-15-7-9-19-17(11-15)20(21(24)25)16-10-14(6-8-18(16)28-19)22(26)27-12-13-4-2-1-3-5-13/h1-11,20H,12H2,(H,24,25)