trisodium (8Z)-7-oxidanylidene-8-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-1,3-disulfonate

Systemtic Name: trisodium (8Z)-7-oxidanylidene-8-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-1,3-disulfonate Openeye Name: trisodium (8Z)-7-oxo-8-[(4-sulfonatophenyl)hydrazono]naphthalene-1,3-disulfonate CAS Name: trisodium (8Z)-7-oxo-8-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-1,3-disulfonate IUPAC Name: trisodium (8Z)-7-oxo-8-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-1,3-disulfonate Traditional Name: trisodium (8Z)-7-keto-8-[(4-sulfonatophenyl)hydrazono]naphthalene-1,3-disulfonate Formula: C16H9N2Na3O10S3 MolecularWeight: 554.41437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C(=O)C=CC3=CC(=CC(=C32)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N/N=C/2\C(=O)C=CC3=CC(=CC(=C32)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C16H12N2O10S3.3Na/c19-13-6-1-9-7-12(30(23,24)25)8-14(31(26,27)28)15(9)16(13)18-17-10-2-4-11(5-3-10)29(20,21)22;;;/h1-8,17H,(H,20,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3/b18-16+;;;