trisodium 4-[(2Z)-2-(2-oxidanylidene-6-sulfonato-naphthalen-1-ylidene)hydrazinyl]benzene-1,3-disulfonate

Systemtic Name: trisodium 4-[(2Z)-2-(2-oxidanylidene-6-sulfonato-naphthalen-1-ylidene)hydrazinyl]benzene-1,3-disulfonate Openeye Name: trisodium 4-[(2Z)-2-(2-oxo-6-sulfonato-1-naphthylidene)hydrazino]benzene-1,3-disulfonate CAS Name: trisodium 4-[(2Z)-2-(2-oxo-6-sulfonato-1-naphthalenylidene)hydrazinyl]benzene-1,3-disulfonate IUPAC Name: trisodium 4-[(2Z)-2-(2-oxo-6-sulfonatonaphthalen-1-ylidene)hydrazinyl]benzene-1,3-disulfonate Traditional Name: trisodium 4-[(N'Z)-N'-(2-keto-6-sulfonato-1-naphthylidene)hydrazino]benzene-1,3-disulfonate Formula: C16H9N2Na3O10S3 MolecularWeight: 554.41437

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=O)C2=NNC3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC\2=C(C=CC(=O)/C2=N\NC3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

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