disodium (5E)-5-[(2-methoxy-5-methyl-4-sulfo-phenyl)hydrazinylidene]-6-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium (5E)-5-[(2-methoxy-5-methyl-4-sulfo-phenyl)hydrazinylidene]-6-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium (5E)-5-[(2-methoxy-5-methyl-4-sulfo-phenyl)hydrazono]-6-oxo-naphthalene-2-sulfonate CAS Name: disodium (5E)-5-[(2-methoxy-5-methyl-4-sulfophenyl)hydrazinylidene]-6-oxo-2-naphthalenesulfonate IUPAC Name: disodium (5E)-5-[(2-methoxy-5-methyl-4-sulfophenyl)hydrazinylidene]-6-oxonaphthalene-2-sulfonate Traditional Name: disodium (5E)-6-keto-5-[(2-methoxy-5-methyl-4-sulfo-phenyl)hydrazono]naphthalene-2-sulfonate Formula: C36H30N4Na2O16S4 MolecularWeight: 948.88014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)O)OC)NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-].CC1=CC(=C(C=C1S(=O)(=O)O)OC)NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)O)OC)N/N=C\2/C(=O)C=CC3=C2C=CC(=C3)S(=O)(=O)[O-].CC1=CC(=C(C=C1S(=O)(=O)O)OC)N/N=C\2/C(=O)C=CC3=C2C=CC(=C3)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/2C18H16N2O8S2.2Na/c2*1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21;;/h2*3-9,19H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;;2*+1/p-2/b2*20-18+;;