disodium (3E)-3-[(2-methoxy-3-methyl-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: disodium (3E)-3-[(2-methoxy-3-methyl-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3E)-3-[(2-methoxy-3-methyl-phenyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3E)-3-[(2-methoxy-3-methylphenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3E)-3-[(2-methoxy-3-methylphenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3E)-4-keto-3-[(2-methoxy-3-methyl-phenyl)hydrazono]naphthalene-2,7-disulfonate Formula: C18H14N2Na2O8S2 MolecularWeight: 496.4219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])OC.[Na+].[Na+]

Isomeric SMILES

CC1=C(C(=CC=C1)N/N=C\2/C(=CC3=C(C2=O)C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])OC.[Na+].[Na+]

InChI

InChI=1S/C18H16N2O8S2.2Na/c1-10-4-3-5-14(18(10)28-2)19-20-16-15(30(25,26)27)9-11-8-12(29(22,23)24)6-7-13(11)17(16)21;;/h3-9,19H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-16-;;