5-chloranyl-2-methyl-8-oxidanylidene-1,3,4,7-tetrahydro-2,7-phenanthroline-9-sulfonic acid

Systemtic Name: 5-chloranyl-2-methyl-8-oxidanylidene-1,3,4,7-tetrahydro-2,7-phenanthroline-9-sulfonic acid Openeye Name: 5-chloro-2-methyl-8-oxo-1,3,4,7-tetrahydro-2,7-phenanthroline-9-sulfonic acid CAS Name: 5-chloro-2-methyl-8-oxo-1,3,4,7-tetrahydro-2,7-phenanthroline-9-sulfonic acid IUPAC Name: 5-chloro-2-methyl-8-oxo-1,3,4,7-tetrahydro-2,7-phenanthroline-9-sulfonic acid Traditional Name: 5-chloro-8-keto-2-methyl-1,3,4,7-tetrahydro-2,7-phenanthroline-9-sulfonic acid Formula: C13H13ClN2O4S MolecularWeight: 328.77132

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C=C3C(=C2C1)C=C(C(=O)N3)S(=O)(=O)O)Cl

Isomeric SMILES

CN1CCC2=C(C=C3C(=C2C1)C=C(C(=O)N3)S(=O)(=O)O)Cl

InChI

InChI=1S/C13H13ClN2O4S/c1-16-3-2-7-9(6-16)8-4-12(21(18,19)20)13(17)15-11(8)5-10(7)14/h4-5H,2-3,6H2,1H3,(H,15,17)(H,18,19,20)