(6E)-4-azanyl-6-[[4-(dioxidanylmethyl)phenyl]hydrazinylidene]-7-methyl-5-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: (6E)-4-azanyl-6-[[4-(dioxidanylmethyl)phenyl]hydrazinylidene]-7-methyl-5-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: (6E)-4-amino-6-[[4-(hydroperoxymethyl)phenyl]hydrazono]-7-methyl-5-oxo-naphthalene-2-sulfonic acid CAS Name: (6E)-4-amino-6-[[4-(hydroperoxymethyl)phenyl]hydrazinylidene]-7-methyl-5-oxo-2-naphthalenesulfonic acid IUPAC Name: (6E)-4-amino-6-[[4-(hydroperoxymethyl)phenyl]hydrazinylidene]-7-methyl-5-oxonaphthalene-2-sulfonic acid Traditional Name: (6E)-4-amino-6-[[4-(hydroperoxymethyl)phenyl]hydrazono]-5-keto-7-methyl-naphthalene-2-sulfonic acid Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=CC(=C2C(=O)C1=NNC3=CC=C(C=C3)COO)N)S(=O)(=O)O

Isomeric SMILES

CC\1=CC2=CC(=CC(=C2C(=O)/C1=N/NC3=CC=C(C=C3)COO)N)S(=O)(=O)O

InChI

InChI=1S/C18H17N3O6S/c1-10-6-12-7-14(28(24,25)26)8-15(19)16(12)18(22)17(10)21-20-13-4-2-11(3-5-13)9-27-23/h2-8,20,23H,9,19H2,1H3,(H,24,25,26)/b21-17+