[(1S,2R,3R,3aR)-3a-methyl-1-oxidanyl-3-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-azulen-2-yl] ethanoate

Systemtic Name: [(1S,2R,3R,3aR)-3a-methyl-1-oxidanyl-3-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-azulen-2-yl] ethanoate Openeye Name: [(1S,2R,3R,3aR)-1-hydroxy-3-isopropyl-3a-methyl-2,3,4,5,6,7-hexahydro-1H-azulen-2-yl] acetate CAS Name: acetic acid [(1S,2R,3R,3aR)-1-hydroxy-3a-methyl-3-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-azulen-2-yl] ester IUPAC Name: [(1S,2R,3R,3aR)-1-hydroxy-3a-methyl-3-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-azulen-2-yl] acetate Traditional Name: acetic acid [(1S,2R,3R,3aR)-1-hydroxy-3-isopropyl-3a-methyl-2,3,4,5,6,7-hexahydro-1H-azulen-2-yl] ester Formula: C16H26O3 MolecularWeight: 266.37584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(C(C2=CCCCCC12C)O)OC(=O)C

Isomeric SMILES

CC(C)[C@H]1[C@H]([C@H](C2=CCCCC[C@]12C)O)OC(=O)C

InChI

InChI=1S/C16H26O3/c1-10(2)13-15(19-11(3)17)14(18)12-8-6-5-7-9-16(12,13)4/h8,10,13-15,18H,5-7,9H2,1-4H3/t13-,14-,15+,16-/m0/s1