5-[2-(1-ethoxy-1-oxidanylidene-propan-2-yl)-4-oxidanyl-phenyl]pent-4-ynoic acid

Systemtic Name: 5-[2-(1-ethoxy-1-oxidanylidene-propan-2-yl)-4-oxidanyl-phenyl]pent-4-ynoic acid Openeye Name: 5-[2-(2-ethoxy-1-methyl-2-oxo-ethyl)-4-hydroxy-phenyl]pent-4-ynoic acid CAS Name: 5-[2-(1-ethoxy-1-oxopropan-2-yl)-4-hydroxyphenyl]-4-pentynoic acid IUPAC Name: 5-[2-(1-ethoxy-1-oxopropan-2-yl)-4-hydroxyphenyl]pent-4-ynoic acid Traditional Name: 5-[2-(2-ethoxy-2-keto-1-methyl-ethyl)-4-hydroxy-phenyl]pent-4-ynoic acid Formula: C16H18O5 MolecularWeight: 290.31112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C1=C(C=CC(=C1)O)C#CCCC(=O)O

Isomeric SMILES

CCOC(=O)C(C)C1=C(C=CC(=C1)O)C#CCCC(=O)O

InChI

InChI=1S/C16H18O5/c1-3-21-16(20)11(2)14-10-13(17)9-8-12(14)6-4-5-7-15(18)19/h8-11,17H,3,5,7H2,1-2H3,(H,18,19)