(8E)-4-acetamido-8-[(2-chloranyl-4,6-dinitro-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: (8E)-4-acetamido-8-[(2-chloranyl-4,6-dinitro-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: (8E)-4-acetamido-8-[(2-chloro-4,6-dinitro-phenyl)hydrazono]-5-oxo-naphthalene-2-sulfonic acid CAS Name: (8E)-4-acetamido-8-[(2-chloro-4,6-dinitrophenyl)hydrazinylidene]-5-oxo-2-naphthalenesulfonic acid IUPAC Name: (8E)-4-acetamido-8-[(2-chloro-4,6-dinitrophenyl)hydrazinylidene]-5-oxonaphthalene-2-sulfonic acid Traditional Name: (8E)-4-acetamido-8-[(2-chloro-4,6-dinitro-phenyl)hydrazono]-5-keto-naphthalene-2-sulfonic acid Formula: C18H12ClN5O9S MolecularWeight: 509.83398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=O)C=CC(=NNC3=C(C=C(C=C3Cl)[N+](=O)[O-])[N+](=O)[O-])C2=CC(=C1)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C2C(=O)C=C/C(=N\NC3=C(C=C(C=C3Cl)[N+](=O)[O-])[N+](=O)[O-])/C2=CC(=C1)S(=O)(=O)O

InChI

InChI=1S/C18H12ClN5O9S/c1-8(25)20-14-7-10(34(31,32)33)6-11-13(2-3-16(26)17(11)14)21-22-18-12(19)4-9(23(27)28)5-15(18)24(29)30/h2-7,22H,1H3,(H,20,25)(H,31,32,33)/b21-13+