3-[(E)-but-1-enyl]-2,4,4-trimethyl-cyclohex-2-en-1-one dicarbonate

Systemtic Name: 3-[(E)-but-1-enyl]-2,4,4-trimethyl-cyclohex-2-en-1-one dicarbonate Openeye Name: 3-[(E)-but-1-enyl]-2,4,4-trimethyl-cyclohex-2-en-1-one dicarbonate CAS Name: 3-[(E)-but-1-enyl]-2,4,4-trimethyl-1-cyclohex-2-enone dicarbonate IUPAC Name: 3-[(E)-but-1-enyl]-2,4,4-trimethylcyclohex-2-en-1-one dicarbonate Traditional Name: 3-[(E)-but-1-enyl]-2,4,4-trimethyl-cyclohex-2-en-1-one dicarbonate Formula: C15H20O7-4 MolecularWeight: 312.3151

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1=C(C(=O)CCC1(C)C)C.C(=O)([O-])[O-].C(=O)([O-])[O-]

Isomeric SMILES

CC/C=C/C1=C(C(=O)CCC1(C)C)C.C(=O)([O-])[O-].C(=O)([O-])[O-]

InChI

InChI=1S/C13H20O.2CH2O3/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4;2*2-1(3)4/h6-7H,5,8-9H2,1-4H3;2*(H2,2,3,4)/p-4/b7-6+;;