2-[(R)-(4-chlorophenyl)-(2-oxidanyl-6-oxidanylidene-4-propyl-cyclohexen-1-yl)methyl]-5-propyl-cyclohexane-1,3-dione

Systemtic Name: 2-[(R)-(4-chlorophenyl)-(2-oxidanyl-6-oxidanylidene-4-propyl-cyclohexen-1-yl)methyl]-5-propyl-cyclohexane-1,3-dione Openeye Name: 2-[(R)-(4-chlorophenyl)-(2-hydroxy-6-oxo-4-propyl-cyclohexen-1-yl)methyl]-5-propyl-cyclohexane-1,3-dione CAS Name: 2-[(R)-(4-chlorophenyl)-(2-hydroxy-6-oxo-4-propyl-1-cyclohexenyl)methyl]-5-propylcyclohexane-1,3-dione IUPAC Name: 2-[(R)-(4-chlorophenyl)-(2-hydroxy-6-oxo-4-propylcyclohexen-1-yl)methyl]-5-propylcyclohexane-1,3-dione Traditional Name: 2-[(R)-(4-chlorophenyl)-(2-hydroxy-6-keto-4-propyl-cyclohexen-1-yl)methyl]-5-propyl-cyclohexane-1,3-quinone Formula: C25H31ClO4 MolecularWeight: 430.96424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(=O)C(C(=O)C1)C(C2=CC=C(C=C2)Cl)C3=C(CC(CC3=O)CCC)O

Isomeric SMILES

CCCC1CC(=O)C(C(=O)C1)[C@H](C2=CC=C(C=C2)Cl)C3=C(CC(CC3=O)CCC)O

InChI

InChI=1S/C25H31ClO4/c1-3-5-15-11-19(27)24(20(28)12-15)23(17-7-9-18(26)10-8-17)25-21(29)13-16(6-4-2)14-22(25)30/h7-10,15-16,23-24,29H,3-6,11-14H2,1-2H3/t15?,16?,23-,24?/m0/s1