methyl 7-oxidanyl-9-phenyl-nona-2,8-diynoate

Systemtic Name: methyl 7-oxidanyl-9-phenyl-nona-2,8-diynoate Openeye Name: methyl 7-hydroxy-9-phenyl-nona-2,8-diynoate CAS Name: 7-hydroxy-9-phenylnona-2,8-diynoic acid methyl ester IUPAC Name: methyl 7-hydroxy-9-phenylnona-2,8-diynoate Traditional Name: 7-hydroxy-9-phenyl-nona-2,8-diynoic acid methyl ester Formula: C16H16O3 MolecularWeight: 256.29644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O3/c1-19-16(18)11-7-3-6-10-15(17)13-12-14-8-4-2-5-9-14/h2,4-5,8-9,15,17H,3,6,10H2,1H3