(3aR,4S,8aR)-7-chloranyl-8a-methyl-3a,4-bis(oxidanyl)-3,4,5,8-tetrahydro-2H-azulen-1-one

Systemtic Name: (3aR,4S,8aR)-7-chloranyl-8a-methyl-3a,4-bis(oxidanyl)-3,4,5,8-tetrahydro-2H-azulen-1-one Openeye Name: (3aR,4S,8aR)-7-chloro-3a,4-dihydroxy-8a-methyl-3,4,5,8-tetrahydro-2H-azulen-1-one CAS Name: (3aR,4S,8aR)-7-chloro-3a,4-dihydroxy-8a-methyl-3,4,5,8-tetrahydro-2H-azulen-1-one IUPAC Name: (3aR,4S,8aR)-7-chloro-3a,4-dihydroxy-8a-methyl-3,4,5,8-tetrahydro-2H-azulen-1-one Traditional Name: (3aR,4S,8aR)-7-chloro-3a,4-dihydroxy-8a-methyl-3,4,5,8-tetrahydro-2H-azulen-1-one Formula: C11H15ClO3 MolecularWeight: 230.688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=CCC(C1(CCC2=O)O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C11H15ClO3/c1-10-6-7(12)2-3-9(14)11(10,15)5-4-8(10)13/h2,9,14-15H,3-6H2,1H3/t9-,10-,11-/m0/s1