2-[[2-chloranyl-3-[(2E)-2-ethoxyiminobutoxy]-4-methylsulfonyl-phenyl]-oxidanyl-methylidene]cyclohexane-1,3-dione

Systemtic Name: 2-[[2-chloranyl-3-[(2E)-2-ethoxyiminobutoxy]-4-methylsulfonyl-phenyl]-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 2-[[2-chloro-3-[(2E)-2-ethoxyiminobutoxy]-4-methylsulfonyl-phenyl]-hydroxy-methylene]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-3-[(2E)-2-ethoxyiminobutoxy]-4-methylsulfonylphenyl]-hydroxymethylidene]cyclohexane-1,3-dione IUPAC Name: 2-[[2-chloro-3-[(2E)-2-ethoxyiminobutoxy]-4-methylsulfonylphenyl]-hydroxymethylidene]cyclohexane-1,3-dione Traditional Name: 2-[[2-chloro-3-[(2E)-2-ethyloximinobutoxy]-4-mesyl-phenyl]-hydroxy-methylene]cyclohexane-1,3-quinone Formula: C20H24ClNO7S MolecularWeight: 457.92506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NOCC)COC1=C(C=CC(=C1Cl)C(=C2C(=O)CCCC2=O)O)S(=O)(=O)C

Isomeric SMILES

CC/C(=N\OCC)/COC1=C(C=CC(=C1Cl)C(=C2C(=O)CCCC2=O)O)S(=O)(=O)C

InChI

InChI=1S/C20H24ClNO7S/c1-4-12(22-29-5-2)11-28-20-16(30(3,26)27)10-9-13(18(20)21)19(25)17-14(23)7-6-8-15(17)24/h9-10,25H,4-8,11H2,1-3H3/b22-12+