2-[bis(2-hydroxyethyl)amino]ethanol; methylsulfonyl-(4-nitro-2-phenoxy-phenyl)sulfamic acid

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]ethanol; methylsulfonyl-(4-nitro-2-phenoxy-phenyl)sulfamic acid Openeye Name: 2-[bis(2-hydroxyethyl)amino]ethanol; methylsulfonyl-(4-nitro-2-phenoxy-phenyl)sulfamic acid CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; methylsulfonyl-(4-nitro-2-phenoxyphenyl)sulfamic acid IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; methylsulfonyl-(4-nitro-2-phenoxyphenyl)sulfamic acid Traditional Name: 2-[bis(2-hydroxyethyl)amino]ethanol; mesyl-(4-nitro-2-phenoxy-phenyl)sulfamic acid Formula: C19H27N3O11S2 MolecularWeight: 537.56118

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(C1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2)S(=O)(=O)O.C(CO)N(CCO)CCO

Isomeric SMILES

CS(=O)(=O)N(C1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2)S(=O)(=O)O.C(CO)N(CCO)CCO

InChI

InChI=1S/C13H12N2O8S2.C6H15NO3/c1-24(18,19)15(25(20,21)22)12-8-7-10(14(16)17)9-13(12)23-11-5-3-2-4-6-11;8-4-1-7(2-5-9)3-6-10/h2-9H,1H3,(H,20,21,22);8-10H,1-6H2