2-[2-chloranyl-4-ethylsulfonyl-3-[(2E)-2-prop-2-enoxyiminopropoxy]phenyl]carbonylcyclohexane-1,3-dione

Systemtic Name: 2-[2-chloranyl-4-ethylsulfonyl-3-[(2E)-2-prop-2-enoxyiminopropoxy]phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[3-[(2E)-2-allyloxyiminopropoxy]-2-chloro-4-ethylsulfonyl-benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-4-ethylsulfonyl-3-[(2E)-2-prop-2-enoxyiminopropoxy]phenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-4-ethylsulfonyl-3-[(2E)-2-prop-2-enoxyiminopropoxy]benzoyl]cyclohexane-1,3-dione Traditional Name: 2-[3-[(2E)-2-allyloximinopropoxy]-2-chloro-4-esyl-benzoyl]cyclohexane-1,3-quinone Formula: C21H24ClNO7S MolecularWeight: 469.93576

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)OCC(=NOCC=C)C

Isomeric SMILES

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)OC/C(=N/OCC=C)/C

InChI

InChI=1S/C21H24ClNO7S/c1-4-11-30-23-13(3)12-29-21-17(31(27,28)5-2)10-9-14(19(21)22)20(26)18-15(24)7-6-8-16(18)25/h4,9-10,18H,1,5-8,11-12H2,2-3H3/b23-13+