[(2S,3R,4aS,8aR)-2-methyl-3-oxidanyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]methyl 2,4-bis(chloranyl)benzoate

Systemtic Name: [(2S,3R,4aS,8aR)-2-methyl-3-oxidanyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]methyl 2,4-bis(chloranyl)benzoate Openeye Name: [(2S,3R,4aS,8aR)-3-hydroxy-2-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]methyl 2,4-dichlorobenzoate CAS Name: 2,4-dichlorobenzoic acid [(2S,3R,4aS,8aR)-3-hydroxy-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1-benzopyran-2-yl]methyl ester IUPAC Name: [(2S,3R,4aS,8aR)-3-hydroxy-2-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]methyl 2,4-dichlorobenzoate Traditional Name: 2,4-dichlorobenzoic acid [(2S,3R,4aS,8aR)-3-hydroxy-2-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]methyl ester Formula: C18H22Cl2O4 MolecularWeight: 373.27088

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC2CCCCC2O1)O)COC(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C[C@@]1([C@@H](C[C@@H]2CCCC[C@H]2O1)O)COC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H22Cl2O4/c1-18(16(21)8-11-4-2-3-5-15(11)24-18)10-23-17(22)13-7-6-12(19)9-14(13)20/h6-7,9,11,15-16,21H,2-5,8,10H2,1H3/t11-,15+,16+,18-/m0/s1