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

Systemtic Name: (3E)-3-[(2-methoxy-3-methyl-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid Openeye Name: (3E)-3-[(2-methoxy-3-methyl-phenyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonic acid CAS Name: (3E)-3-[(2-methoxy-3-methylphenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid IUPAC Name: (3E)-3-[(2-methoxy-3-methylphenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid Traditional Name: (3E)-4-keto-3-[(2-methoxy-3-methyl-phenyl)hydrazono]naphthalene-2,7-disulfonic acid Formula: C18H16N2O8S2 MolecularWeight: 452.45824

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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

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

InChI

InChI=1S/C18H16N2O8S2/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)/b20-16-