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

Systemtic Name: [(2R,3S,4S,6S)-2-butyl-6-methoxy-4-oxidanyl-oxan-3-yl] 4-methoxybenzoate Openeye Name: [(2R,3S,4S,6S)-2-butyl-4-hydroxy-6-methoxy-tetrahydropyran-3-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2R,3S,4S,6S)-2-butyl-4-hydroxy-6-methoxy-3-oxanyl] ester IUPAC Name: [(2R,3S,4S,6S)-2-butyl-4-hydroxy-6-methoxyoxan-3-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(2R,3S,4S,6S)-2-butyl-4-hydroxy-6-methoxy-tetrahydropyran-3-yl] ester Formula: C18H26O6 MolecularWeight: 338.39544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O6/c1-4-5-6-15-17(14(19)11-16(22-3)23-15)24-18(20)12-7-9-13(21-2)10-8-12/h7-10,14-17,19H,4-6,11H2,1-3H3/t14-,15+,16-,17-/m0/s1