2-azanyl-4,6-dinitro-phenol; 4-(naphthalen-2-ylamino)benzenesulfonic acid

Systemtic Name: 2-azanyl-4,6-dinitro-phenol; 4-(naphthalen-2-ylamino)benzenesulfonic acid Openeye Name: 2-amino-4,6-dinitro-phenol; 4-(2-naphthylamino)benzenesulfonic acid CAS Name: 2-amino-4,6-dinitrophenol; 4-(2-naphthalenylamino)benzenesulfonic acid IUPAC Name: 2-amino-4,6-dinitrophenol; 4-(naphthalen-2-ylamino)benzenesulfonic acid Traditional Name: 2-amino-4,6-dinitro-phenol; 4-(2-naphthylamino)besylic acid Formula: C22H18N4O8S MolecularWeight: 498.46532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)NC3=CC=C(C=C3)S(=O)(=O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)NC3=CC=C(C=C3)S(=O)(=O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO3S.C6H5N3O5/c18-21(19,20)16-9-7-14(8-10-16)17-15-6-5-12-3-1-2-4-13(12)11-15;7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-11,17H,(H,18,19,20);1-2,10H,7H2