2-[1-(ethoxyamino)propylidene]-5-(2,4,6-trimethyl-3-methylsulfonyl-phenyl)cyclohexane-1,3-dione

Systemtic Name: 2-[1-(ethoxyamino)propylidene]-5-(2,4,6-trimethyl-3-methylsulfonyl-phenyl)cyclohexane-1,3-dione Openeye Name: 2-[1-(ethoxyamino)propylidene]-5-(2,4,6-trimethyl-3-methylsulfonyl-phenyl)cyclohexane-1,3-dione CAS Name: 2-[1-(ethoxyamino)propylidene]-5-(2,4,6-trimethyl-3-methylsulfonylphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[1-(ethoxyamino)propylidene]-5-(2,4,6-trimethyl-3-methylsulfonylphenyl)cyclohexane-1,3-dione Traditional Name: 2-[1-(ethoxyamino)propylidene]-5-(3-mesyl-2,4,6-trimethyl-phenyl)cyclohexane-1,3-quinone Formula: C21H29NO5S MolecularWeight: 407.52366

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=C(C(=C(C=C2C)C)S(=O)(=O)C)C)NOCC

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=C(C(=C(C=C2C)C)S(=O)(=O)C)C)NOCC

InChI

InChI=1S/C21H29NO5S/c1-7-16(22-27-8-2)20-17(23)10-15(11-18(20)24)19-12(3)9-13(4)21(14(19)5)28(6,25)26/h9,15,22H,7-8,10-11H2,1-6H3