(5R)-2-[(4-chlorophenyl)-[(4S)-2-oxidanyl-6-oxidanylidene-4-propyl-cyclohexen-1-yl]methyl]-3-oxidanyl-5-propyl-cyclohex-2-en-1-one

Systemtic Name: (5R)-2-[(4-chlorophenyl)-[(4S)-2-oxidanyl-6-oxidanylidene-4-propyl-cyclohexen-1-yl]methyl]-3-oxidanyl-5-propyl-cyclohex-2-en-1-one Openeye Name: (5R)-2-[(4-chlorophenyl)-[(4S)-2-hydroxy-6-oxo-4-propyl-cyclohexen-1-yl]methyl]-3-hydroxy-5-propyl-cyclohex-2-en-1-one CAS Name: (5R)-2-[(4-chlorophenyl)-[(4S)-2-hydroxy-6-oxo-4-propyl-1-cyclohexenyl]methyl]-3-hydroxy-5-propyl-1-cyclohex-2-enone IUPAC Name: (5R)-2-[(4-chlorophenyl)-[(4S)-2-hydroxy-6-oxo-4-propylcyclohexen-1-yl]methyl]-3-hydroxy-5-propylcyclohex-2-en-1-one Traditional Name: (5R)-2-[(4-chlorophenyl)-[(4S)-2-hydroxy-6-keto-4-propyl-cyclohexen-1-yl]methyl]-3-hydroxy-5-propyl-cyclohex-2-en-1-one Formula: C25H31ClO4 MolecularWeight: 430.96424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@@H]1CC(=C(C(=O)C1)C(C2=CC=C(C=C2)Cl)C3=C(C[C@@H](CC3=O)CCC)O)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/h7-10,15-16,23,27,29H,3-6,11-14H2,1-2H3/t15-,16+,23?