tetrasodium (3E)-6-azanyl-4-oxidanylidene-3-[[7-sulfinato-4-[(4-sulfonatophenyl)diazenyl]naphthalen-1-yl]hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: tetrasodium (3E)-6-azanyl-4-oxidanylidene-3-[[7-sulfinato-4-[(4-sulfonatophenyl)diazenyl]naphthalen-1-yl]hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: tetrasodium (3E)-6-amino-4-oxo-3-[[7-sulfinato-4-(4-sulfonatophenyl)azo-1-naphthyl]hydrazono]naphthalene-2,7-disulfonate CAS Name: tetrasodium (3E)-6-amino-4-oxo-3-[[7-sulfinato-4-(4-sulfonatophenyl)azo-1-naphthalenyl]hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: tetrasodium (3E)-6-amino-4-oxo-3-[[7-sulfinato-4-[(4-sulfonatophenyl)diazenyl]naphthalen-1-yl]hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: tetrasodium (3E)-6-amino-4-keto-3-[[7-sulfinato-4-(4-sulfonatophenyl)azo-1-naphthyl]hydrazono]naphthalene-2,7-disulfonate Formula: C26H15N5Na4O12S4 MolecularWeight: 809.64268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=C3C=CC(=CC3=C(C=C2)NN=C4C(=CC5=CC(=C(C=C5C4=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N=NC2=C3C=CC(=CC3=C(C=C2)N/N=C\4/C(=CC5=CC(=C(C=C5C4=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C26H19N5O12S4.4Na/c27-20-12-18-13(9-23(20)46(38,39)40)10-24(47(41,42)43)25(26(18)32)31-30-22-8-7-21(17-6-3-15(44(33)34)11-19(17)22)29-28-14-1-4-16(5-2-14)45(35,36)37;;;;/h1-12,30H,27H2,(H,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43);;;;/q;4*+1/p-4/b29-28?,31-25-;;;;