disodium (3E)-6-oxidanylidene-3-[(4-sulfophenyl)hydrazinylidene]cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: disodium (3E)-6-oxidanylidene-3-[(4-sulfophenyl)hydrazinylidene]cyclohexa-1,4-diene-1-carboxylate Openeye Name: disodium (3E)-6-oxo-3-[(4-sulfophenyl)hydrazono]cyclohexa-1,4-diene-1-carboxylate CAS Name: disodium (3E)-6-oxo-3-[(4-sulfophenyl)hydrazinylidene]-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: disodium (3E)-6-oxo-3-[(4-sulfophenyl)hydrazinylidene]cyclohexa-1,4-diene-1-carboxylate Traditional Name: disodium (3E)-6-keto-3-[(4-sulfophenyl)hydrazono]cyclohexa-1,4-diene-1-carboxylate Formula: C26H18N4Na2O12S2 MolecularWeight: 688.55026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C=CC(=O)C(=C2)C(=O)[O-])S(=O)(=O)O.C1=CC(=CC=C1NN=C2C=CC(=O)C(=C2)C(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N/N=C\2/C=C(C(=O)C=C2)C(=O)[O-])S(=O)(=O)O.C1=CC(=CC=C1N/N=C\2/C=C(C(=O)C=C2)C(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/2C13H10N2O6S.2Na/c2*16-12-6-3-9(7-11(12)13(17)18)15-14-8-1-4-10(5-2-8)22(19,20)21;;/h2*1-7,14H,(H,17,18)(H,19,20,21);;/q;;2*+1/p-2/b2*15-9+;;