[2,2-dimethyl-7-(2-methyloctan-2-yl)-4-(2-oxidanylpropyl)-3,4-dihydrochromen-5-yl] ethanoate

Systemtic Name: [2,2-dimethyl-7-(2-methyloctan-2-yl)-4-(2-oxidanylpropyl)-3,4-dihydrochromen-5-yl] ethanoate Openeye Name: [7-(1,1-dimethylheptyl)-4-(2-hydroxypropyl)-2,2-dimethyl-chroman-5-yl] acetate CAS Name: acetic acid [4-(2-hydroxypropyl)-2,2-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-1-benzopyran-5-yl] ester IUPAC Name: [4-(2-hydroxypropyl)-2,2-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydrochromen-5-yl] acetate Traditional Name: acetic acid [7-(1,1-dimethylheptyl)-4-(2-hydroxypropyl)-2,2-dimethyl-chroman-5-yl] ester Formula: C25H40O4 MolecularWeight: 404.5827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC2=C(C(CC(O2)(C)C)CC(C)O)C(=C1)OC(=O)C

Isomeric SMILES

CCCCCCC(C)(C)C1=CC2=C(C(CC(O2)(C)C)CC(C)O)C(=C1)OC(=O)C

InChI

InChI=1S/C25H40O4/c1-8-9-10-11-12-24(4,5)20-14-21(28-18(3)27)23-19(13-17(2)26)16-25(6,7)29-22(23)15-20/h14-15,17,19,26H,8-13,16H2,1-7H3