2-[(2-acetamido-4-azanyl-phenyl)diazenyl]naphthalene-1,5-disulfonic acid

Systemtic Name: 2-[(2-acetamido-4-azanyl-phenyl)diazenyl]naphthalene-1,5-disulfonic acid Openeye Name: 2-(2-acetamido-4-amino-phenyl)azonaphthalene-1,5-disulfonic acid CAS Name: 2-(2-acetamido-4-aminophenyl)azonaphthalene-1,5-disulfonic acid IUPAC Name: 2-[(2-acetamido-4-aminophenyl)diazenyl]naphthalene-1,5-disulfonic acid Traditional Name: 2-(2-acetamido-4-amino-phenyl)azonaphthalene-1,5-disulfonic acid Formula: C18H16N4O7S2 MolecularWeight: 464.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)N)N=NC2=C(C3=C(C=C2)C(=CC=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)N)N=NC2=C(C3=C(C=C2)C(=CC=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H16N4O7S2/c1-10(23)20-16-9-11(19)5-7-14(16)21-22-15-8-6-12-13(18(15)31(27,28)29)3-2-4-17(12)30(24,25)26/h2-9H,19H2,1H3,(H,20,23)(H,24,25,26)(H,27,28,29)