(8-heptanoyloxy-7-methyl-6-oxidanyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl) 2,2-diethylbutanoate

Systemtic Name: (8-heptanoyloxy-7-methyl-6-oxidanyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl) 2,2-diethylbutanoate Openeye Name: (8-heptanoyloxy-6-hydroxy-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl) 2,2-diethylbutanoate CAS Name: 2,2-diethylbutanoic acid [6-hydroxy-7-methyl-8-(1-oxoheptoxy)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester IUPAC Name: (8-heptanoyloxy-6-hydroxy-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl) 2,2-diethylbutanoate Traditional Name: 2,2-diethylbutyric acid (8-enanthyloxy-6-hydroxy-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl) ester Formula: C26H42O5 MolecularWeight: 434.60868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1C(C(=CC2=CCCC(C12)OC(=O)C(CC)(CC)CC)O)C

Isomeric SMILES

CCCCCCC(=O)OC1C(C(=CC2=CCCC(C12)OC(=O)C(CC)(CC)CC)O)C

InChI

InChI=1S/C26H42O5/c1-6-10-11-12-16-22(28)31-24-18(5)20(27)17-19-14-13-15-21(23(19)24)30-25(29)26(7-2,8-3)9-4/h14,17-18,21,23-24,27H,6-13,15-16H2,1-5H3