[4-carbamimidoyl-2-(phenylcarbonyl)phenyl] 4-(phenylcarbonyloxy)benzoate; methanesulfonic acid

Systemtic Name: [4-carbamimidoyl-2-(phenylcarbonyl)phenyl] 4-(phenylcarbonyloxy)benzoate; methanesulfonic acid Openeye Name: (2-benzoyl-4-carbamimidoyl-phenyl) 4-benzoyloxybenzoate; methanesulfonic acid CAS Name: 4-benzoyloxybenzoic acid (2-benzoyl-4-carbamimidoylphenyl) ester; methanesulfonic acid IUPAC Name: (2-benzoyl-4-carbamimidoylphenyl) 4-benzoyloxybenzoate; methanesulfonic acid Traditional Name: 4-benzoyloxybenzoic acid (4-amidino-2-benzoyl-phenyl) ester; mesylic acid Formula: C29H24N2O8S MolecularWeight: 560.57446

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)C(=N)N)OC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)O.C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)C(=N)N)OC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H20N2O5.CH4O3S/c29-26(30)21-13-16-24(23(17-21)25(31)18-7-3-1-4-8-18)35-28(33)20-11-14-22(15-12-20)34-27(32)19-9-5-2-6-10-19;1-5(2,3)4/h1-17H,(H3,29,30);1H3,(H,2,3,4)