(1R,8aR)-7-chloranyl-8a-methyl-1-propan-2-yl-1,2,3,6,7,8-hexahydroazulen-5-one

Systemtic Name: (1R,8aR)-7-chloranyl-8a-methyl-1-propan-2-yl-1,2,3,6,7,8-hexahydroazulen-5-one Openeye Name: (1R,8aR)-7-chloro-1-isopropyl-8a-methyl-1,2,3,6,7,8-hexahydroazulen-5-one CAS Name: (1R,8aR)-7-chloro-8a-methyl-1-propan-2-yl-1,2,3,6,7,8-hexahydroazulen-5-one IUPAC Name: (1R,8aR)-7-chloro-8a-methyl-1-propan-2-yl-1,2,3,6,7,8-hexahydroazulen-5-one Traditional Name: (1R,8aR)-7-chloro-1-isopropyl-8a-methyl-1,2,3,6,7,8-hexahydroazulen-5-one Formula: C14H21ClO MolecularWeight: 240.76894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC2=CC(=O)CC(CC12C)Cl

Isomeric SMILES

CC(C)[C@H]1CCC2=CC(=O)CC(C[C@]12C)Cl

InChI

InChI=1S/C14H21ClO/c1-9(2)13-5-4-10-6-12(16)7-11(15)8-14(10,13)3/h6,9,11,13H,4-5,7-8H2,1-3H3/t11?,13-,14+/m1/s1