methyl 2-oxidanyl-2-phenyl-non-3-ynoate

Systemtic Name: methyl 2-oxidanyl-2-phenyl-non-3-ynoate Openeye Name: methyl 2-hydroxy-2-phenyl-non-3-ynoate CAS Name: 2-hydroxy-2-phenyl-3-nonynoic acid methyl ester IUPAC Name: methyl 2-hydroxy-2-phenylnon-3-ynoate Traditional Name: 2-hydroxy-2-phenyl-non-3-ynoic acid methyl ester Formula: C16H20O3 MolecularWeight: 260.3282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC(C1=CC=CC=C1)(C(=O)OC)O

Isomeric SMILES

CCCCCC#CC(C1=CC=CC=C1)(C(=O)OC)O

InChI

InChI=1S/C16H20O3/c1-3-4-5-6-10-13-16(18,15(17)19-2)14-11-8-7-9-12-14/h7-9,11-12,18H,3-6H2,1-2H3