octane-2,3-dione; 1-phenylbutane-1,2-dione

Systemtic Name: octane-2,3-dione; 1-phenylbutane-1,2-dione Openeye Name: octane-2,3-dione; 1-phenylbutane-1,2-dione CAS Name: octane-2,3-dione; 1-phenylbutane-1,2-dione IUPAC Name: octane-2,3-dione; 1-phenylbutane-1,2-dione Traditional Name: octane-2,3-dione; 1-phenylbutane-1,2-dione Formula: C18H24O4 MolecularWeight: 304.38076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(=O)C.CCC(=O)C(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCC(=O)C(=O)C.CCC(=O)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H10O2.C8H14O2/c1-2-9(11)10(12)8-6-4-3-5-7-8;1-3-4-5-6-8(10)7(2)9/h3-7H,2H2,1H3;3-6H2,1-2H3