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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)CCC(O2)(CCOC(=O)C3=C(C=C(C=C3)Cl)Cl)O

Isomeric SMILES

C1CC[C@H]2[C@H](C1)CC[C@@](O2)(CCOC(=O)C3=C(C=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C18H22Cl2O4/c19-13-5-6-14(15(20)11-13)17(21)23-10-9-18(22)8-7-12-3-1-2-4-16(12)24-18/h5-6,11-12,16,22H,1-4,7-10H2/t12-,16+,18-/m1/s1