[3-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate

Systemtic Name: [3-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate Openeye Name: [3-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [3-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester IUPAC Name: [3-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid (7-methyl-3-methylol-1,2,3,7,8,8a-hexahydronaphthalen-1-yl) ester Formula: C17H26O3 MolecularWeight: 278.38654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1CC(C=C2C1CC(C=C2)C)CO

Isomeric SMILES

CCC(C)C(=O)OC1CC(C=C2C1CC(C=C2)C)CO

InChI

InChI=1S/C17H26O3/c1-4-12(3)17(19)20-16-9-13(10-18)8-14-6-5-11(2)7-15(14)16/h5-6,8,11-13,15-16,18H,4,7,9-10H2,1-3H3