2-chloranylbenzo[i][1,9]phenanthroline-7-carboxylic acid; methanesulfonic acid

Systemtic Name: 2-chloranylbenzo[i][1,9]phenanthroline-7-carboxylic acid; methanesulfonic acid Openeye Name: 2-chlorobenzo[i][1,9]phenanthroline-7-carboxylic acid; methanesulfonic acid CAS Name: 2-chloro-7-benzo[i][1,9]phenanthrolinecarboxylic acid; methanesulfonic acid IUPAC Name: 2-chlorobenzo[i][1,9]phenanthroline-7-carboxylic acid; methanesulfonic acid Traditional Name: 2-chlorobenzo[i][1,9]phenanthroline-7-carboxylic acid; mesylic acid Formula: C18H13ClN2O5S MolecularWeight: 404.82422

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC2=C3C=CC4=CC(=CN=C4C3=CN=C2C(=C1)C(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)O.C1=CC2=C3C=CC4=CC(=CN=C4C3=CN=C2C(=C1)C(=O)O)Cl

InChI

InChI=1S/C17H9ClN2O2.CH4O3S/c18-10-6-9-4-5-11-12-2-1-3-13(17(21)22)16(12)20-8-14(11)15(9)19-7-10;1-5(2,3)4/h1-8H,(H,21,22);1H3,(H,2,3,4)