7-(dimethylamino)-4-oxidanyl-3-oxidanylidene-phenoxazin-10-ium-1-carboxylic acid; hydrogen sulfite

Systemtic Name: 7-(dimethylamino)-4-oxidanyl-3-oxidanylidene-phenoxazin-10-ium-1-carboxylic acid; hydrogen sulfite Openeye Name: 7-(dimethylamino)-4-hydroxy-3-oxo-phenoxazin-10-ium-1-carboxylic acid; hydrogen sulfite CAS Name: 7-(dimethylamino)-4-hydroxy-3-oxo-1-phenoxazin-10-iumcarboxylic acid; hydrogen sulfite IUPAC Name: 7-(dimethylamino)-4-hydroxy-3-oxophenoxazin-10-ium-1-carboxylic acid; hydrogen sulfite Traditional Name: 7-(dimethylamino)-4-hydroxy-3-keto-phenoxazin-10-ium-1-carboxylic acid bisulfite Formula: C15H14N2O8S MolecularWeight: 382.34526

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)[NH+]=C3C(=CC(=O)C(=C3O2)O)C(=O)O.OS(=O)[O-]

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)[NH+]=C3C(=CC(=O)C(=C3O2)O)C(=O)O.OS(=O)[O-]

InChI

InChI=1S/C15H12N2O5.H2O3S/c1-17(2)7-3-4-9-11(5-7)22-14-12(16-9)8(15(20)21)6-10(18)13(14)19;1-4(2)3/h3-6,19H,1-2H3,(H,20,21);(H2,1,2,3)