methyl 2,2-dimethyl-8-oxidanyl-8-(2-pentoxyphenyl)oct-5-ynoate

Systemtic Name: methyl 2,2-dimethyl-8-oxidanyl-8-(2-pentoxyphenyl)oct-5-ynoate Openeye Name: methyl 8-hydroxy-2,2-dimethyl-8-(2-pentoxyphenyl)oct-5-ynoate CAS Name: 8-hydroxy-2,2-dimethyl-8-(2-pentoxyphenyl)-5-octynoic acid methyl ester IUPAC Name: methyl 8-hydroxy-2,2-dimethyl-8-(2-pentoxyphenyl)oct-5-ynoate Traditional Name: 8-(2-amoxyphenyl)-8-hydroxy-2,2-dimethyl-oct-5-ynoic acid methyl ester Formula: C22H32O4 MolecularWeight: 360.48708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(CC#CCCC(C)(C)C(=O)OC)O

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(CC#CCCC(C)(C)C(=O)OC)O

InChI

InChI=1S/C22H32O4/c1-5-6-12-17-26-20-15-10-9-13-18(20)19(23)14-8-7-11-16-22(2,3)21(24)25-4/h9-10,13,15,19,23H,5-6,11-12,14,16-17H2,1-4H3