5-nitro-2-[1-(phenylsulfonyl)ethyl]phenol

Systemtic Name: 5-nitro-2-[1-(phenylsulfonyl)ethyl]phenol Openeye Name: 2-[1-(benzenesulfonyl)ethyl]-5-nitro-phenol CAS Name: 2-[1-(benzenesulfonyl)ethyl]-5-nitrophenol IUPAC Name: 2-[1-(benzenesulfonyl)ethyl]-5-nitrophenol Traditional Name: 2-(1-besylethyl)-5-nitro-phenol Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)[N+](=O)[O-])O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C1=C(C=C(C=C1)[N+](=O)[O-])O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H13NO5S/c1-10(21(19,20)12-5-3-2-4-6-12)13-8-7-11(15(17)18)9-14(13)16/h2-10,16H,1H3