1-[2-[[2-(2-hydroxyethylsulfonyl)-4-nitro-phenyl]amino]ethyl]benzotriazole-5-sulfonic acid

Systemtic Name: 1-[2-[[2-(2-hydroxyethylsulfonyl)-4-nitro-phenyl]amino]ethyl]benzotriazole-5-sulfonic acid Openeye Name: 1-[2-[2-(2-hydroxyethylsulfonyl)-4-nitro-anilino]ethyl]benzotriazole-5-sulfonic acid CAS Name: 1-[2-[2-(2-hydroxyethylsulfonyl)-4-nitroanilino]ethyl]-5-benzotriazolesulfonic acid IUPAC Name: 1-[2-[2-(2-hydroxyethylsulfonyl)-4-nitroanilino]ethyl]benzotriazole-5-sulfonic acid Traditional Name: 1-[2-[2-(2-hydroxyethylsulfonyl)-4-nitro-anilino]ethyl]benzotriazole-5-sulfonic acid Formula: C16H17N5O8S2 MolecularWeight: 471.46488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)CCO)NCCN2C3=C(C=C(C=C3)S(=O)(=O)O)N=N2

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)CCO)NCCN2C3=C(C=C(C=C3)S(=O)(=O)O)N=N2

InChI

InChI=1S/C16H17N5O8S2/c22-7-8-30(25,26)16-9-11(21(23)24)1-3-13(16)17-5-6-20-15-4-2-12(31(27,28)29)10-14(15)18-19-20/h1-4,9-10,17,22H,5-8H2,(H,27,28,29)