(2E)-2-(phenylmethylidene)nona-3,8-diynal

Systemtic Name: (2E)-2-(phenylmethylidene)nona-3,8-diynal Openeye Name: (2E)-2-benzylidenenona-3,8-diynal CAS Name: (2E)-2-(phenylmethylene)nona-3,8-diynal IUPAC Name: (2E)-2-benzylidenenona-3,8-diynal Traditional Name: (2E)-2-benzalnona-3,8-diynal Formula: C16H14O MolecularWeight: 222.28176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C#CCCCC#C/C(=C\C1=CC=CC=C1)/C=O

InChI

InChI=1S/C16H14O/c1-2-3-4-5-7-12-16(14-17)13-15-10-8-6-9-11-15/h1,6,8-11,13-14H,3-5H2/b16-13+