[(Z)-4-[2-(oxan-2-yloxy)ethyl]-6-oxidanyl-hex-4-en-2-ynyl] 2,6-dimethoxybenzoate

Systemtic Name: [(Z)-4-[2-(oxan-2-yloxy)ethyl]-6-oxidanyl-hex-4-en-2-ynyl] 2,6-dimethoxybenzoate Openeye Name: [(Z)-6-hydroxy-4-(2-tetrahydropyran-2-yloxyethyl)hex-4-en-2-ynyl] 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic acid [(Z)-6-hydroxy-4-[2-(2-oxanyloxy)ethyl]hex-4-en-2-ynyl] ester IUPAC Name: [(Z)-6-hydroxy-4-[2-(oxan-2-yloxy)ethyl]hex-4-en-2-ynyl] 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid [(Z)-6-hydroxy-4-(2-tetrahydropyran-2-yloxyethyl)hex-4-en-2-ynyl] ester Formula: C22H28O7 MolecularWeight: 404.45352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)OCC#CC(=CCO)CCOC2CCCCO2

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)OCC#C/C(=C\CO)/CCOC2CCCCO2

InChI

InChI=1S/C22H28O7/c1-25-18-8-5-9-19(26-2)21(18)22(24)29-15-6-7-17(11-13-23)12-16-28-20-10-3-4-14-27-20/h5,8-9,11,20,23H,3-4,10,12-16H2,1-2H3/b17-11+