sodium 4-[(Z)-[tert-butyl(oxidanidyl)azaniumylidene]methyl]benzene-1,3-disulfonate

Systemtic Name: sodium 4-[(Z)-[tert-butyl(oxidanidyl)azaniumylidene]methyl]benzene-1,3-disulfonate Openeye Name: sodium 4-[(Z)-[tert-butyl(oxido)iminio]methyl]benzene-1,3-disulfonate CAS Name: sodium 4-[(Z)-[tert-butyl(oxido)iminio]methyl]benzene-1,3-disulfonate IUPAC Name: sodium 4-[(Z)-[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate Traditional Name: sodium 4-[(Z)-[tert-butyl(oxido)iminio]methyl]benzene-1,3-disulfonate Formula: C11H13NNaO7S2- MolecularWeight: 358.34319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+](=CC1=C(C=C(C=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-].[Na+]

Isomeric SMILES

CC(C)(C)/[N+](=C/C1=C(C=C(C=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])/[O-].[Na+]

InChI

InChI=1S/C11H15NO7S2.Na/c1-11(2,3)12(13)7-8-4-5-9(20(14,15)16)6-10(8)21(17,18)19;/h4-7H,1-3H3,(H,14,15,16)(H,17,18,19);/q;+1/p-2/b12-7-;