sodium 5-azanyl-4-oxidanyl-7-sulfo-naphthalene-2-sulfonate hydrate

Systemtic Name: sodium 5-azanyl-4-oxidanyl-7-sulfo-naphthalene-2-sulfonate hydrate Openeye Name: sodium 5-amino-4-hydroxy-7-sulfo-naphthalene-2-sulfonate hydrate CAS Name: sodium 5-amino-4-hydroxy-7-sulfo-2-naphthalenesulfonate hydrate IUPAC Name: sodium 5-amino-4-hydroxy-7-sulfonaphthalene-2-sulfonate hydrate Traditional Name: sodium 5-amino-4-hydroxy-7-sulfo-naphthalene-2-sulfonate hydrate Formula: C10H10NNaO8S2 MolecularWeight: 359.30807

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)N)O)S(=O)(=O)[O-].O.[Na+]

Isomeric SMILES

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)N)O)S(=O)(=O)[O-].O.[Na+]

InChI

InChI=1S/C10H9NO7S2.Na.H2O/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);;1H2/q;+1;/p-1