5,7,8-trimethyl-6-(nitromethylsulfonyl)-3,4-dihydro-2H-chromene

Systemtic Name: 5,7,8-trimethyl-6-(nitromethylsulfonyl)-3,4-dihydro-2H-chromene Openeye Name: 5,7,8-trimethyl-6-(nitromethylsulfonyl)chromane CAS Name: 5,7,8-trimethyl-6-(nitromethylsulfonyl)-3,4-dihydro-2H-1-benzopyran IUPAC Name: 5,7,8-trimethyl-6-(nitromethylsulfonyl)-3,4-dihydro-2H-chromene Traditional Name: 5,7,8-trimethyl-6-(nitromethylsulfonyl)chroman Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)S(=O)(=O)C[N+](=O)[O-])C)CCCO2

Isomeric SMILES

CC1=C2C(=C(C(=C1C)S(=O)(=O)C[N+](=O)[O-])C)CCCO2

InChI

InChI=1S/C13H17NO5S/c1-8-9(2)13(20(17,18)7-14(15)16)10(3)11-5-4-6-19-12(8)11/h4-7H2,1-3H3