2-(4-azanyl-3-nitro-phenyl)sulfonylethanol; benzenesulfonic acid

Systemtic Name: 2-(4-azanyl-3-nitro-phenyl)sulfonylethanol; benzenesulfonic acid Openeye Name: 2-(4-amino-3-nitro-phenyl)sulfonylethanol; benzenesulfonic acid CAS Name: 2-(4-amino-3-nitrophenyl)sulfonylethanol; benzenesulfonic acid IUPAC Name: 2-(4-amino-3-nitrophenyl)sulfonylethanol; benzenesulfonic acid Traditional Name: 2-(4-amino-3-nitro-phenyl)sulfonylethanol; besylic acid Formula: C14H16N2O8S2 MolecularWeight: 404.41544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=C(C=C1S(=O)(=O)CCO)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=C(C=C1S(=O)(=O)CCO)[N+](=O)[O-])N

InChI

InChI=1S/C8H10N2O5S.C6H6O3S/c9-7-2-1-6(5-8(7)10(12)13)16(14,15)4-3-11;7-10(8,9)6-4-2-1-3-5-6/h1-2,5,11H,3-4,9H2;1-5H,(H,7,8,9)