6-cyclopentyl-6-phenethyl-3-(phenylmethyl)oxane-2,4-dione

Systemtic Name: 6-cyclopentyl-6-phenethyl-3-(phenylmethyl)oxane-2,4-dione Openeye Name: 3-benzyl-6-cyclopentyl-6-phenethyl-tetrahydropyran-2,4-dione CAS Name: 6-cyclopentyl-6-phenethyl-3-(phenylmethyl)oxane-2,4-dione IUPAC Name: 3-benzyl-6-cyclopentyl-6-phenethyloxane-2,4-dione Traditional Name: 3-benzyl-6-cyclopentyl-6-phenethyl-tetrahydropyran-2,4-quinone Formula: C25H28O3 MolecularWeight: 376.48802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2(CC(=O)C(C(=O)O2)CC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)C2(CC(=O)C(C(=O)O2)CC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H28O3/c26-23-18-25(21-13-7-8-14-21,16-15-19-9-3-1-4-10-19)28-24(27)22(23)17-20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2