[(2S,3R,5aS,9aR)-3-oxidanyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]oxepin-2-yl]methyl 2,4-bis(chloranyl)benzoate

Systemtic Name: [(2S,3R,5aS,9aR)-3-oxidanyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]oxepin-2-yl]methyl 2,4-bis(chloranyl)benzoate Openeye Name: [(2S,3R,5aS,9aR)-3-hydroxy-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]oxepin-2-yl]methyl 2,4-dichlorobenzoate CAS Name: 2,4-dichlorobenzoic acid [(2S,3R,5aS,9aR)-3-hydroxy-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]oxepin-2-yl]methyl ester IUPAC Name: [(2S,3R,5aS,9aR)-3-hydroxy-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]oxepin-2-yl]methyl 2,4-dichlorobenzoate Traditional Name: 2,4-dichlorobenzoic acid [(2S,3R,5aS,9aR)-3-hydroxy-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]oxepin-2-yl]methyl ester Formula: C18H22Cl2O4 MolecularWeight: 373.27088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22Cl2O4/c19-12-6-7-13(14(20)9-12)18(22)23-10-17-15(21)8-5-11-3-1-2-4-16(11)24-17/h6-7,9,11,15-17,21H,1-5,8,10H2/t11-,15+,16+,17-/m0/s1