bis(4-carbamimidoylphenyl) benzene-1,4-dicarboxylate hydrochloride

Systemtic Name: bis(4-carbamimidoylphenyl) benzene-1,4-dicarboxylate hydrochloride Openeye Name: bis(4-carbamimidoylphenyl) benzene-1,4-dicarboxylate hydrochloride CAS Name: benzene-1,4-dicarboxylic acid bis(4-carbamimidoylphenyl) ester hydrochloride IUPAC Name: bis(4-carbamimidoylphenyl) benzene-1,4-dicarboxylate hydrochloride Traditional Name: benzene-1,4-dicarboxylic acid bis(4-amidinophenyl) ester hydrochloride Formula: C22H19ClN4O4 MolecularWeight: 438.86366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)C(=N)N)C(=O)OC3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)C(=N)N)C(=O)OC3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C22H18N4O4.ClH/c23-19(24)13-5-9-17(10-6-13)29-21(27)15-1-2-16(4-3-15)22(28)30-18-11-7-14(8-12-18)20(25)26;/h1-12H,(H3,23,24)(H3,25,26);1H