3-iodanyl-4-(5-nitrothiophen-2-yl)butan-2-one

Systemtic Name: 3-iodanyl-4-(5-nitrothiophen-2-yl)butan-2-one Openeye Name: 3-iodo-4-(5-nitro-2-thienyl)butan-2-one CAS Name: 3-iodo-4-(5-nitro-2-thiophenyl)-2-butanone IUPAC Name: 3-iodo-4-(5-nitrothiophen-2-yl)butan-2-one Traditional Name: 3-iodo-4-(5-nitro-2-thienyl)butan-2-one Formula: C8H8INO3S MolecularWeight: 325.12349

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=C(S1)[N+](=O)[O-])I

Isomeric SMILES

CC(=O)C(CC1=CC=C(S1)[N+](=O)[O-])I

InChI

InChI=1S/C8H8INO3S/c1-5(11)7(9)4-6-2-3-8(14-6)10(12)13/h2-3,7H,4H2,1H3