[7-(sulfomethyl)-3,8-phenanthrolin-4-yl]methanesulfonic acid

Systemtic Name: [7-(sulfomethyl)-3,8-phenanthrolin-4-yl]methanesulfonic acid Openeye Name: [7-(sulfomethyl)-3,8-phenanthrolin-4-yl]methanesulfonic acid CAS Name: [7-(sulfomethyl)-3,8-phenanthrolin-4-yl]methanesulfonic acid IUPAC Name: [7-(sulfomethyl)-3,8-phenanthrolin-4-yl]methanesulfonic acid Traditional Name: [7-(sulfomethyl)-3,8-phenanthrolin-4-yl]methanesulfonic acid Formula: C14H12N2O6S2 MolecularWeight: 368.38488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2CS(=O)(=O)O)C3=C1C(=NC=C3)CS(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CN=C2CS(=O)(=O)O)C3=C1C(=NC=C3)CS(=O)(=O)O

InChI

InChI=1S/C14H12N2O6S2/c17-23(18,19)7-13-11-1-2-12-10(9(11)3-5-15-13)4-6-16-14(12)8-24(20,21)22/h1-6H,7-8H2,(H,17,18,19)(H,20,21,22)