6-acetamido-5-[(4-nitrophenyl)diazenyl]naphthalene-1,3-disulfonic acid

Systemtic Name: 6-acetamido-5-[(4-nitrophenyl)diazenyl]naphthalene-1,3-disulfonic acid Openeye Name: 6-acetamido-5-(4-nitrophenyl)azo-naphthalene-1,3-disulfonic acid CAS Name: 6-acetamido-5-(4-nitrophenyl)azonaphthalene-1,3-disulfonic acid IUPAC Name: 6-acetamido-5-[(4-nitrophenyl)diazenyl]naphthalene-1,3-disulfonic acid Traditional Name: 6-acetamido-5-(4-nitrophenyl)azo-naphthalene-1,3-disulfonic acid Formula: C18H14N4O9S2 MolecularWeight: 494.45516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=CC(=CC(=C2C=C1)S(=O)(=O)O)S(=O)(=O)O)N=NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C2=CC(=CC(=C2C=C1)S(=O)(=O)O)S(=O)(=O)O)N=NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O9S2/c1-10(23)19-16-7-6-14-15(8-13(32(26,27)28)9-17(14)33(29,30)31)18(16)21-20-11-2-4-12(5-3-11)22(24)25/h2-9H,1H3,(H,19,23)(H,26,27,28)(H,29,30,31)