2-[[2-chloranyl-3-(4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonyl-phenyl]-oxidanyl-methylidene]cyclohexane-1,3-dione

Systemtic Name: 2-[[2-chloranyl-3-(4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonyl-phenyl]-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 2-[[2-chloro-3-(4,5-dihydroisoxazol-3-yl)-4-methylsulfonyl-phenyl]-hydroxy-methylene]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-3-(4,5-dihydroisoxazol-3-yl)-4-methylsulfonylphenyl]-hydroxymethylidene]cyclohexane-1,3-dione IUPAC Name: 2-[[2-chloro-3-(4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonylphenyl]-hydroxymethylidene]cyclohexane-1,3-dione Traditional Name: 2-[[2-chloro-3-(2-isoxazolin-3-yl)-4-mesyl-phenyl]-hydroxy-methylene]cyclohexane-1,3-quinone Formula: C17H16ClNO6S MolecularWeight: 397.83004

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=C2C(=O)CCCC2=O)O)Cl)C3=NOCC3

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=C2C(=O)CCCC2=O)O)Cl)C3=NOCC3

InChI

InChI=1S/C17H16ClNO6S/c1-26(23,24)13-6-5-9(16(18)14(13)10-7-8-25-19-10)17(22)15-11(20)3-2-4-12(15)21/h5-6,22H,2-4,7-8H2,1H3