ethanoic acid; 7-(phenylsulfonyl)-7-azabicyclo[2.2.1]hepta-1,3,5-triene

Systemtic Name: ethanoic acid; 7-(phenylsulfonyl)-7-azabicyclo[2.2.1]hepta-1,3,5-triene Openeye Name: acetic acid; 7-(benzenesulfonyl)-7-azabicyclo[2.2.1]hepta-1,3,5-triene CAS Name: acetic acid; 7-(benzenesulfonyl)-7-azabicyclo[2.2.1]hepta-1,3,5-triene IUPAC Name: acetic acid; 7-(benzenesulfonyl)-7-azabicyclo[2.2.1]hepta-1,3,5-triene Traditional Name: acetic acid; 7-besyl-7-azabicyclo[2.2.1]hepta-1,3,5-triene Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=C2C=C3

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=C2C=C3

InChI

InChI=1S/C12H9NO2S.C2H4O2/c14-16(15,12-4-2-1-3-5-12)13-10-6-7-11(13)9-8-10;1-2(3)4/h1-9H;1H3,(H,3,4)