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

Systemtic Name: 2-[[2-methyl-3-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-4-methylsulfonyl-phenyl]-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 2-[hydroxy-[2-methyl-3-(3-methyl-4,5-dihydroisoxazol-5-yl)-4-methylsulfonyl-phenyl]methylene]cyclohexane-1,3-dione CAS Name: 2-[hydroxy-[2-methyl-3-(3-methyl-4,5-dihydroisoxazol-5-yl)-4-methylsulfonylphenyl]methylidene]cyclohexane-1,3-dione IUPAC Name: 2-[hydroxy-[2-methyl-3-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-4-methylsulfonylphenyl]methylidene]cyclohexane-1,3-dione Traditional Name: 2-[hydroxy-[4-mesyl-2-methyl-3-(3-methyl-2-isoxazolin-5-yl)phenyl]methylene]cyclohexane-1,3-quinone Formula: C19H21NO6S MolecularWeight: 391.43814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(C1)C2=C(C=CC(=C2C)C(=C3C(=O)CCCC3=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=NOC(C1)C2=C(C=CC(=C2C)C(=C3C(=O)CCCC3=O)O)S(=O)(=O)C

InChI

InChI=1S/C19H21NO6S/c1-10-9-15(26-20-10)17-11(2)12(7-8-16(17)27(3,24)25)19(23)18-13(21)5-4-6-14(18)22/h7-8,15,23H,4-6,9H2,1-3H3