sodium 3-[3-(oxidanylamino)-1H-indol-2-yl]-2-oxidanylidene-indole-5-sulfonate

Systemtic Name: sodium 3-[3-(oxidanylamino)-1H-indol-2-yl]-2-oxidanylidene-indole-5-sulfonate Openeye Name: sodium 3-[3-(hydroxyamino)-1H-indol-2-yl]-2-oxo-indole-5-sulfonate CAS Name: sodium 3-[3-(hydroxyamino)-1H-indol-2-yl]-2-oxo-5-indolesulfonate IUPAC Name: sodium 3-[3-(hydroxyamino)-1H-indol-2-yl]-2-oxoindole-5-sulfonate Traditional Name: sodium 3-[3-(hydroxyamino)-1H-indol-2-yl]-2-keto-indole-5-sulfonate Formula: C16H10N3NaO5S MolecularWeight: 379.32247

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C3=C4C=C(C=CC4=NC3=O)S(=O)(=O)[O-])NO.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C3=C4C=C(C=CC4=NC3=O)S(=O)(=O)[O-])NO.[Na+]

InChI

InChI=1S/C16H11N3O5S.Na/c20-16-13(10-7-8(25(22,23)24)5-6-12(10)18-16)15-14(19-21)9-3-1-2-4-11(9)17-15;/h1-7,17,19,21H,(H,22,23,24);/q;+1/p-1