7-[8-(2-ethyl-2-methyl-butanoyl)oxy-2-methyl-6-oxidanyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoate

Systemtic Name: 7-[8-(2-ethyl-2-methyl-butanoyl)oxy-2-methyl-6-oxidanyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoate Openeye Name: 7-[8-(2-ethyl-2-methyl-butanoyl)oxy-6-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoate CAS Name: 7-[8-(2-ethyl-2-methyl-1-oxobutoxy)-6-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoate IUPAC Name: 7-[8-(2-ethyl-2-methylbutanoyl)oxy-6-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoate Traditional Name: 7-[8-(2-ethyl-2-methyl-butanoyl)oxy-6-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]enanthate Formula: C25H39O5- MolecularWeight: 419.57416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCCCCCC(=O)[O-])O

Isomeric SMILES

CCC(C)(CC)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCCCCCC(=O)[O-])O

InChI

InChI=1S/C25H40O5/c1-5-25(4,6-2)24(29)30-21-16-19(26)15-18-14-13-17(3)20(23(18)21)11-9-7-8-10-12-22(27)28/h13-15,17,19-21,23,26H,5-12,16H2,1-4H3,(H,27,28)/p-1