3-chloranyl-6-cyclopentyl-6-[2-(4-phenylmethoxyphenyl)ethyl]oxane-2,4-dione

Systemtic Name: 3-chloranyl-6-cyclopentyl-6-[2-(4-phenylmethoxyphenyl)ethyl]oxane-2,4-dione Openeye Name: 6-[2-(4-benzyloxyphenyl)ethyl]-3-chloro-6-cyclopentyl-tetrahydropyran-2,4-dione CAS Name: 3-chloro-6-cyclopentyl-6-[2-(4-phenylmethoxyphenyl)ethyl]oxane-2,4-dione IUPAC Name: 3-chloro-6-cyclopentyl-6-[2-(4-phenylmethoxyphenyl)ethyl]oxane-2,4-dione Traditional Name: 6-[2-(4-benzoxyphenyl)ethyl]-3-chloro-6-cyclopentyl-tetrahydropyran-2,4-quinone Formula: C25H27ClO4 MolecularWeight: 426.93248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2(CC(=O)C(C(=O)O2)Cl)CCC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)C2(CC(=O)C(C(=O)O2)Cl)CCC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27ClO4/c26-23-22(27)16-25(30-24(23)28,20-8-4-5-9-20)15-14-18-10-12-21(13-11-18)29-17-19-6-2-1-3-7-19/h1-3,6-7,10-13,20,23H,4-5,8-9,14-17H2