[(1S,2R,3R,5S,6S)-3-butyl-5-methoxy-4,7-dioxabicyclo[4.1.0]heptan-2-yl] 4-methoxybenzoate

Systemtic Name: [(1S,2R,3R,5S,6S)-3-butyl-5-methoxy-4,7-dioxabicyclo[4.1.0]heptan-2-yl] 4-methoxybenzoate Openeye Name: [(1S,2R,3R,5S,6S)-3-butyl-5-methoxy-4,7-dioxabicyclo[4.1.0]heptan-2-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(1S,2R,3R,5S,6S)-3-butyl-5-methoxy-4,7-dioxabicyclo[4.1.0]heptan-2-yl] ester IUPAC Name: [(1S,2R,3R,5S,6S)-3-butyl-5-methoxy-4,7-dioxabicyclo[4.1.0]heptan-2-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(1S,2R,3R,5S,6S)-3-butyl-5-methoxy-4,7-dioxabicyclo[4.1.0]heptan-2-yl] ester Formula: C18H24O6 MolecularWeight: 336.37956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C2C(O2)C(O1)OC)OC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCC[C@@H]1[C@H]([C@H]2[C@H](O2)[C@H](O1)OC)OC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H24O6/c1-4-5-6-13-14(15-16(23-15)18(21-3)22-13)24-17(19)11-7-9-12(20-2)10-8-11/h7-10,13-16,18H,4-6H2,1-3H3/t13-,14-,15+,16+,18+/m1/s1