(2R,3S)-2-[6-(3-methoxyphenyl)-3-oxidanylidene-hexyl]-2,5,5-trimethyl-3-oxidanyl-cyclopentan-1-one

Systemtic Name: (2R,3S)-2-[6-(3-methoxyphenyl)-3-oxidanylidene-hexyl]-2,5,5-trimethyl-3-oxidanyl-cyclopentan-1-one Openeye Name: (2R,3S)-3-hydroxy-2-[6-(3-methoxyphenyl)-3-oxo-hexyl]-2,5,5-trimethyl-cyclopentanone CAS Name: (2R,3S)-3-hydroxy-2-[6-(3-methoxyphenyl)-3-oxohexyl]-2,5,5-trimethyl-1-cyclopentanone IUPAC Name: (2R,3S)-3-hydroxy-2-[6-(3-methoxyphenyl)-3-oxohexyl]-2,5,5-trimethylcyclopentan-1-one Traditional Name: (2R,3S)-3-hydroxy-2-[3-keto-6-(3-methoxyphenyl)hexyl]-2,5,5-trimethyl-cyclopentanone Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(C1=O)(C)CCC(=O)CCCC2=CC(=CC=C2)OC)O)C

Isomeric SMILES

C[C@]1([C@H](CC(C1=O)(C)C)O)CCC(=O)CCCC2=CC(=CC=C2)OC

InChI

InChI=1S/C21H30O4/c1-20(2)14-18(23)21(3,19(20)24)12-11-16(22)9-5-7-15-8-6-10-17(13-15)25-4/h6,8,10,13,18,23H,5,7,9,11-12,14H2,1-4H3/t18-,21+/m0/s1