3-(2-methylhexyl)-4-(1-phenylpropyl)oxolane-2,5-dione

Systemtic Name: 3-(2-methylhexyl)-4-(1-phenylpropyl)oxolane-2,5-dione Openeye Name: 3-(2-methylhexyl)-4-(1-phenylpropyl)tetrahydrofuran-2,5-dione CAS Name: 3-(2-methylhexyl)-4-(1-phenylpropyl)oxolane-2,5-dione IUPAC Name: 3-(2-methylhexyl)-4-(1-phenylpropyl)oxolane-2,5-dione Traditional Name: 3-(2-methylhexyl)-4-(1-phenylpropyl)tetrahydrofuran-2,5-quinone Formula: C20H28O3 MolecularWeight: 316.43452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC1C(C(=O)OC1=O)C(CC)C2=CC=CC=C2

Isomeric SMILES

CCCCC(C)CC1C(C(=O)OC1=O)C(CC)C2=CC=CC=C2

InChI

InChI=1S/C20H28O3/c1-4-6-10-14(3)13-17-18(20(22)23-19(17)21)16(5-2)15-11-8-7-9-12-15/h7-9,11-12,14,16-18H,4-6,10,13H2,1-3H3