5-(4-bromanylphenoxy)-2,4-dimethyl-benzene-1,3-dicarboxylate

Systemtic Name: 5-(4-bromanylphenoxy)-2,4-dimethyl-benzene-1,3-dicarboxylate Openeye Name: 5-(4-bromophenoxy)-2,4-dimethyl-benzene-1,3-dicarboxylate CAS Name: 5-(4-bromophenoxy)-2,4-dimethylbenzene-1,3-dicarboxylate IUPAC Name: 5-(4-bromophenoxy)-2,4-dimethylbenzene-1,3-dicarboxylate Traditional Name: 5-(4-bromophenoxy)-2,4-dimethyl-isophthalate Formula: C16H11BrO5-2 MolecularWeight: 363.15954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)[O-])OC2=CC=C(C=C2)Br)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)[O-])OC2=CC=C(C=C2)Br)C)C(=O)[O-]

InChI

InChI=1S/C16H13BrO5/c1-8-12(15(18)19)7-13(9(2)14(8)16(20)21)22-11-5-3-10(17)4-6-11/h3-7H,1-2H3,(H,18,19)(H,20,21)/p-2