trisodium (8Z)-7-oxidanylidene-3-sulfo-8-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonate

Systemtic Name: trisodium (8Z)-7-oxidanylidene-3-sulfo-8-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonate Openeye Name: trisodium (8Z)-7-oxo-3-sulfo-8-[(4-sulfonato-1-naphthyl)hydrazono]naphthalene-1-sulfonate CAS Name: trisodium (8Z)-7-oxo-3-sulfo-8-[(4-sulfonato-1-naphthalenyl)hydrazinylidene]-1-naphthalenesulfonate IUPAC Name: trisodium (8Z)-7-oxo-3-sulfo-8-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonate Traditional Name: trisodium (8Z)-7-keto-3-sulfo-8-[(4-sulfonato-1-naphthyl)hydrazono]naphthalene-1-sulfonate Formula: C60H36N6Na3O30S9-3 MolecularWeight: 1678.50435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C(=O)C=CC4=CC(=CC(=C43)S(=O)(=O)[O-])S(=O)(=O)O.C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C(=O)C=CC4=CC(=CC(=C43)S(=O)(=O)[O-])S(=O)(=O)O.C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C(=O)C=CC4=CC(=CC(=C43)S(=O)(=O)[O-])S(=O)(=O)O.[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=CC=C(C2=C1)N/N=C\3/C4=C(C=C(C=C4C=CC3=O)S(=O)(=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC=C2C(=CC=C(C2=C1)N/N=C\3/C4=C(C=C(C=C4C=CC3=O)S(=O)(=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC=C2C(=CC=C(C2=C1)N/N=C\3/C4=C(C=C(C=C4C=CC3=O)S(=O)(=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/3C20H14N2O10S3.3Na/c3*23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15;;;/h3*1-10,21H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;;;3*+1/p-6/b3*22-20+;;;