sodium 4-(methylamino)-5-oxidanyl-7-sulfo-naphthalene-2-sulfonate

Systemtic Name: sodium 4-(methylamino)-5-oxidanyl-7-sulfo-naphthalene-2-sulfonate Openeye Name: sodium 5-hydroxy-4-(methylamino)-7-sulfo-naphthalene-2-sulfonate CAS Name: sodium 5-hydroxy-4-(methylamino)-7-sulfo-2-naphthalenesulfonate IUPAC Name: sodium 5-hydroxy-4-(methylamino)-7-sulfonaphthalene-2-sulfonate Traditional Name: sodium 5-hydroxy-4-(methylamino)-7-sulfo-naphthalene-2-sulfonate Formula: C11H10NNaO7S2 MolecularWeight: 355.31937

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C=C2O)S(=O)(=O)O.[Na+]

Isomeric SMILES

CNC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C=C2O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C11H11NO7S2.Na/c1-12-9-4-7(20(14,15)16)2-6-3-8(21(17,18)19)5-10(13)11(6)9;/h2-5,12-13H,1H3,(H,14,15,16)(H,17,18,19);/q;+1/p-1