(3aS,8aR)-8a-methyl-3-(2-oxidanylpropan-2-yl)-3a,4,5,8-tetrahydro-1H-azulene-6-carboxylate

Systemtic Name: (3aS,8aR)-8a-methyl-3-(2-oxidanylpropan-2-yl)-3a,4,5,8-tetrahydro-1H-azulene-6-carboxylate Openeye Name: (3aS,8aR)-3-(1-hydroxy-1-methyl-ethyl)-8a-methyl-3a,4,5,8-tetrahydro-1H-azulene-6-carboxylate CAS Name: (3aS,8aR)-3-(2-hydroxypropan-2-yl)-8a-methyl-3a,4,5,8-tetrahydro-1H-azulene-6-carboxylate IUPAC Name: (3aS,8aR)-3-(2-hydroxypropan-2-yl)-8a-methyl-3a,4,5,8-tetrahydro-1H-azulene-6-carboxylate Traditional Name: (3aS,8aR)-3-(1-hydroxy-1-methyl-ethyl)-8a-methyl-3a,4,5,8-tetrahydro-1H-azulene-6-carboxylate Formula: C15H21O3- MolecularWeight: 249.32544

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC=C(CCC1C(=CC2)C(C)(C)O)C(=O)[O-]

Isomeric SMILES

C[C@@]12CC=C(CC[C@@H]1C(=CC2)C(C)(C)O)C(=O)[O-]

InChI

InChI=1S/C15H22O3/c1-14(2,18)11-7-9-15(3)8-6-10(13(16)17)4-5-12(11)15/h6-7,12,18H,4-5,8-9H2,1-3H3,(H,16,17)/p-1/t12-,15+/m1/s1