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

Systemtic Name: disodium 4-[(E)-[tert-butyl(oxidanidyl)azaniumylidene]methyl]benzene-1,3-disulfonate Openeye Name: disodium 4-[(E)-[tert-butyl(oxido)iminio]methyl]benzene-1,3-disulfonate CAS Name: disodium 4-[(E)-[tert-butyl(oxido)iminio]methyl]benzene-1,3-disulfonate IUPAC Name: disodium 4-[(E)-[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate Traditional Name: disodium 4-[(E)-[tert-butyl(oxido)iminio]methyl]benzene-1,3-disulfonate Formula: C11H13NNa2O7S2 MolecularWeight: 381.33296

Click to see the large picture

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+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO7S2.2Na/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;2*+1/p-2/b12-7+;;