1-phenyldodec-1-yne-3,4-dione

Systemtic Name: 1-phenyldodec-1-yne-3,4-dione Openeye Name: 1-phenyldodec-1-yne-3,4-dione CAS Name: 1-phenyl-1-dodecyne-3,4-dione IUPAC Name: 1-phenyldodec-1-yne-3,4-dione Traditional Name: 1-phenyldodec-1-yne-3,4-dione Formula: C18H22O2 MolecularWeight: 270.36608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)C(=O)C#CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCC(=O)C(=O)C#CC1=CC=CC=C1

InChI

InChI=1S/C18H22O2/c1-2-3-4-5-6-10-13-17(19)18(20)15-14-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13H2,1H3