4-diazo-N,N-dimethyl-cyclohexa-1,5-dien-1-amine; 2-sulfobenzene-1,3-dicarboxylic acid

Systemtic Name: 4-diazo-N,N-dimethyl-cyclohexa-1,5-dien-1-amine; 2-sulfobenzene-1,3-dicarboxylic acid Openeye Name: 4-diazo-N,N-dimethyl-cyclohexa-1,5-dien-1-amine; 2-sulfobenzene-1,3-dicarboxylic acid CAS Name: 4-diazo-N,N-dimethyl-1-cyclohexa-1,5-dienamine; 2-sulfobenzene-1,3-dicarboxylic acid IUPAC Name: 4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine; 2-sulfobenzene-1,3-dicarboxylic acid Traditional Name: (4-diazocyclohexa-1,5-dien-1-yl)-dimethyl-amine; 2-sulfoisophthalic acid Formula: C16H17N3O7S MolecularWeight: 395.38708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CCC(=[N+]=[N-])C=C1.C1=CC(=C(C(=C1)C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1=CCC(=[N+]=[N-])C=C1.C1=CC(=C(C(=C1)C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C8H11N3.C8H6O7S/c1-11(2)8-5-3-7(10-9)4-6-8;9-7(10)4-2-1-3-5(8(11)12)6(4)16(13,14)15/h3,5-6H,4H2,1-2H3;1-3H,(H,9,10)(H,11,12)(H,13,14,15)