bromanylzinc(1+); [3-[(3-methanidyl-2-methoxy-5-phenylmethoxy-phenyl)methyl]-4-(2-methoxyethoxymethoxy)phenyl] benzoate

Systemtic Name: bromanylzinc(1+); [3-[(3-methanidyl-2-methoxy-5-phenylmethoxy-phenyl)methyl]-4-(2-methoxyethoxymethoxy)phenyl] benzoate Openeye Name: [3-[(5-benzyloxy-3-methanidyl-2-methoxy-phenyl)methyl]-4-(2-methoxyethoxymethoxy)phenyl] benzoate; bromozinc(1+) CAS Name: benzoic acid [3-[(3-methanidyl-2-methoxy-5-phenylmethoxyphenyl)methyl]-4-(2-methoxyethoxymethoxy)phenyl] ester; bromozinc(1+) IUPAC Name: bromozinc(1+); [3-[(3-methanidyl-2-methoxy-5-phenylmethoxyphenyl)methyl]-4-(2-methoxyethoxymethoxy)phenyl] benzoate Traditional Name: benzoic acid [3-(5-benzoxy-3-methanidyl-2-methoxy-benzyl)-4-(2-methoxyethoxymethoxy)phenyl] ester; bromozinc(1+) Formula: C33H33BrO7Zn MolecularWeight: 686.92392

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC1=C(C=C(C=C1)OC(=O)C2=CC=CC=C2)CC3=C(C(=CC(=C3)OCC4=CC=CC=C4)[CH2-])OC.[Zn+]Br

Isomeric SMILES

COCCOCOC1=C(C=C(C=C1)OC(=O)C2=CC=CC=C2)CC3=C(C(=CC(=C3)OCC4=CC=CC=C4)[CH2-])OC.[Zn+]Br

InChI

InChI=1S/C33H33O7.BrH.Zn/c1-24-18-30(38-22-25-10-6-4-7-11-25)21-28(32(24)36-3)19-27-20-29(40-33(34)26-12-8-5-9-13-26)14-15-31(27)39-23-37-17-16-35-2;;/h4-15,18,20-21H,1,16-17,19,22-23H2,2-3H3;1H;/q-1;;+2/p-1