2,2-dimethyl-4-[(4-nitrophenyl)sulfonylmethyl]furan-3-one

Systemtic Name: 2,2-dimethyl-4-[(4-nitrophenyl)sulfonylmethyl]furan-3-one Openeye Name: 2,2-dimethyl-4-[(4-nitrophenyl)sulfonylmethyl]furan-3-one CAS Name: 2,2-dimethyl-4-[(4-nitrophenyl)sulfonylmethyl]-3-furanone IUPAC Name: 2,2-dimethyl-4-[(4-nitrophenyl)sulfonylmethyl]furan-3-one Traditional Name: 2,2-dimethyl-4-(nosylmethyl)furan-3-one Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C(=CO1)CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(C(=O)C(=CO1)CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H13NO6S/c1-13(2)12(15)9(7-20-13)8-21(18,19)11-5-3-10(4-6-11)14(16)17/h3-7H,8H2,1-2H3