(5E)-6,10-dimethylundeca-5,9-dien-2-one; 3-phenylpropanal

Systemtic Name: (5E)-6,10-dimethylundeca-5,9-dien-2-one; 3-phenylpropanal Openeye Name: (5E)-6,10-dimethylundeca-5,9-dien-2-one; 3-phenylpropanal CAS Name: (5E)-6,10-dimethyl-2-undeca-5,9-dienone; 3-phenylpropanal IUPAC Name: (5E)-6,10-dimethylundeca-5,9-dien-2-one; 3-phenylpropanal Traditional Name: (5E)-6,10-dimethylundeca-5,9-dien-2-one; 3-phenylpropionaldehyde Formula: C22H32O2 MolecularWeight: 328.48828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22O.C9H10O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14;10-8-4-7-9-5-2-1-3-6-9/h7,9H,5-6,8,10H2,1-4H3;1-3,5-6,8H,4,7H2/b12-9+;