(2R,4R)-4-(4-ethynylphenyl)-2-(4-oxidanylbutoxy)-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: (2R,4R)-4-(4-ethynylphenyl)-2-(4-oxidanylbutoxy)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: (2R,4R)-4-(4-ethynylphenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: (2R,4R)-4-(4-ethynylphenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: (2R,4R)-4-(4-ethynylphenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: (2R,4R)-4-(4-ethynylphenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C18H20O5 MolecularWeight: 316.3484

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C2CC(OC(=C2)C(=O)O)OCCCCO

Isomeric SMILES

C#CC1=CC=C(C=C1)[C@@H]2C[C@@H](OC(=C2)C(=O)O)OCCCCO

InChI

InChI=1S/C18H20O5/c1-2-13-5-7-14(8-6-13)15-11-16(18(20)21)23-17(12-15)22-10-4-3-9-19/h1,5-8,11,15,17,19H,3-4,9-10,12H2,(H,20,21)/t15-,17+/m0/s1