[(2R,3R,4S,5R,6S)-2-butyl-5-iodanyl-6-methoxy-4-oxidanyl-oxan-3-yl] 4-methoxybenzoate

Systemtic Name: [(2R,3R,4S,5R,6S)-2-butyl-5-iodanyl-6-methoxy-4-oxidanyl-oxan-3-yl] 4-methoxybenzoate Openeye Name: [(2R,3R,4S,5R,6S)-2-butyl-4-hydroxy-5-iodo-6-methoxy-tetrahydropyran-3-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2R,3R,4S,5R,6S)-2-butyl-4-hydroxy-5-iodo-6-methoxy-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6S)-2-butyl-4-hydroxy-5-iodo-6-methoxyoxan-3-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(2R,3R,4S,5R,6S)-2-butyl-4-hydroxy-5-iodo-6-methoxy-tetrahydropyran-3-yl] ester Formula: C18H25IO6 MolecularWeight: 464.29197

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C(C(C(O1)OC)I)O)OC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)I)O)OC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H25IO6/c1-4-5-6-13-16(15(20)14(19)18(23-3)24-13)25-17(21)11-7-9-12(22-2)10-8-11/h7-10,13-16,18,20H,4-6H2,1-3H3/t13-,14-,15-,16+,18+/m1/s1