1,4-bis(1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol; methanesulfonic acid

Systemtic Name: 1,4-bis(1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol; methanesulfonic acid Openeye Name: 1,4-bis(1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol; methanesulfonic acid CAS Name: 1,4-bis(1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol; methanesulfonic acid IUPAC Name: 1,4-bis(1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol; methanesulfonic acid Traditional Name: 1,4-bis(1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol; mesylic acid Formula: C19H22N4O7S MolecularWeight: 450.46558

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC=C2C(=C1)NC(=N2)C(C(C(C(C3=NC4=CC=CC=C4N3)O)O)O)O

Isomeric SMILES

CS(=O)(=O)O.C1=CC=C2C(=C1)NC(=N2)C(C(C(C(C3=NC4=CC=CC=C4N3)O)O)O)O

InChI

InChI=1S/C18H18N4O4.CH4O3S/c23-13(15(25)17-19-9-5-1-2-6-10(9)20-17)14(24)16(26)18-21-11-7-3-4-8-12(11)22-18;1-5(2,3)4/h1-8,13-16,23-26H,(H,19,20)(H,21,22);1H3,(H,2,3,4)