hexasodium (4E)-3-oxidanylidene-4-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: hexasodium (4E)-3-oxidanylidene-4-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: hexasodium (4E)-3-oxo-4-[(4-sulfonato-1-naphthyl)hydrazono]naphthalene-2,7-disulfonate CAS Name: hexasodium (4E)-3-oxo-4-[(4-sulfonato-1-naphthalenyl)hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: hexasodium (4E)-3-oxo-4-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: hexasodium (4E)-3-keto-4-[(4-sulfonato-1-naphthyl)hydrazono]naphthalene-2,7-disulfonate Formula: C40H22N4Na6O20S6 MolecularWeight: 1208.9461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C4=C(C=C(C=C4)S(=O)(=O)[O-])C=C(C3=O)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C4=C(C=C(C=C4)S(=O)(=O)[O-])C=C(C3=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=CC=C(C2=C1)N/N=C\3/C(=O)C(=CC4=C3C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC=C2C(=CC=C(C2=C1)N/N=C\3/C(=O)C(=CC4=C3C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/2C20H14N2O10S3.6Na/c2*23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16;;;;;;/h2*1-10,21H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;;;;/q;;6*+1/p-6/b2*22-19+;;;;;;