2,4-dimethyl-2-[(4-nitrophenyl)methyl]-5-oxidanyl-thiophen-3-one

Systemtic Name: 2,4-dimethyl-2-[(4-nitrophenyl)methyl]-5-oxidanyl-thiophen-3-one Openeye Name: 5-hydroxy-2,4-dimethyl-2-[(4-nitrophenyl)methyl]thiophen-3-one CAS Name: 5-hydroxy-2,4-dimethyl-2-[(4-nitrophenyl)methyl]-3-thiophenone IUPAC Name: 5-hydroxy-2,4-dimethyl-2-[(4-nitrophenyl)methyl]thiophen-3-one Traditional Name: 5-hydroxy-2,4-dimethyl-2-(4-nitrobenzyl)thiophen-3-one Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(C1=O)(C)CC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(SC(C1=O)(C)CC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H13NO4S/c1-8-11(15)13(2,19-12(8)16)7-9-3-5-10(6-4-9)14(17)18/h3-6,16H,7H2,1-2H3