dimethyl 2-[(Z)-5-(4-tert-butylphenyl)-5-oxidanyl-3-oxidanylidene-pent-4-enyl]propanedioate

Systemtic Name: dimethyl 2-[(Z)-5-(4-tert-butylphenyl)-5-oxidanyl-3-oxidanylidene-pent-4-enyl]propanedioate Openeye Name: dimethyl 2-[(Z)-5-(4-tert-butylphenyl)-5-hydroxy-3-oxo-pent-4-enyl]propanedioate CAS Name: 2-[(Z)-5-(4-tert-butylphenyl)-5-hydroxy-3-oxopent-4-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(Z)-5-(4-tert-butylphenyl)-5-hydroxy-3-oxopent-4-enyl]propanedioate Traditional Name: 2-[(Z)-5-(4-tert-butylphenyl)-5-hydroxy-3-keto-pent-4-enyl]malonic acid dimethyl ester Formula: C20H26O6 MolecularWeight: 362.41684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=CC(=O)CCC(C(=O)OC)C(=O)OC)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C(=C/C(=O)CCC(C(=O)OC)C(=O)OC)/O

InChI

InChI=1S/C20H26O6/c1-20(2,3)14-8-6-13(7-9-14)17(22)12-15(21)10-11-16(18(23)25-4)19(24)26-5/h6-9,12,16,22H,10-11H2,1-5H3/b17-12-