[6,6-dibutyl-5-(4-phenylmethoxybut-1-ynyl)-2,3-dihydropyran-3-yl] ethanoate

Systemtic Name: [6,6-dibutyl-5-(4-phenylmethoxybut-1-ynyl)-2,3-dihydropyran-3-yl] ethanoate Openeye Name: [5-(4-benzyloxybut-1-ynyl)-6,6-dibutyl-2,3-dihydropyran-3-yl] acetate CAS Name: acetic acid [6,6-dibutyl-5-(4-phenylmethoxybut-1-ynyl)-2,3-dihydropyran-3-yl] ester IUPAC Name: [6,6-dibutyl-5-(4-phenylmethoxybut-1-ynyl)-2,3-dihydropyran-3-yl] acetate Traditional Name: acetic acid [5-(4-benzoxybut-1-ynyl)-6,6-dibutyl-2,3-dihydropyran-3-yl] ester Formula: C26H36O4 MolecularWeight: 412.56164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=CC(CO1)OC(=O)C)C#CCCOCC2=CC=CC=C2)CCCC

Isomeric SMILES

CCCCC1(C(=CC(CO1)OC(=O)C)C#CCCOCC2=CC=CC=C2)CCCC

InChI

InChI=1S/C26H36O4/c1-4-6-16-26(17-7-5-2)24(19-25(21-29-26)30-22(3)27)15-11-12-18-28-20-23-13-9-8-10-14-23/h8-10,13-14,19,25H,4-7,12,16-18,20-21H2,1-3H3