5-[3-(3-ethoxy-3-oxidanylidene-propyl)-4-oxidanyl-phenyl]pent-4-ynoic acid

Systemtic Name: 5-[3-(3-ethoxy-3-oxidanylidene-propyl)-4-oxidanyl-phenyl]pent-4-ynoic acid Openeye Name: 5-[3-(3-ethoxy-3-oxo-propyl)-4-hydroxy-phenyl]pent-4-ynoic acid CAS Name: 5-[3-(3-ethoxy-3-oxopropyl)-4-hydroxyphenyl]-4-pentynoic acid IUPAC Name: 5-[3-(3-ethoxy-3-oxopropyl)-4-hydroxyphenyl]pent-4-ynoic acid Traditional Name: 5-[3-(3-ethoxy-3-keto-propyl)-4-hydroxy-phenyl]pent-4-ynoic acid Formula: C16H18O5 MolecularWeight: 290.31112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C=CC(=C1)C#CCCC(=O)O)O

Isomeric SMILES

CCOC(=O)CCC1=C(C=CC(=C1)C#CCCC(=O)O)O

InChI

InChI=1S/C16H18O5/c1-2-21-16(20)10-8-13-11-12(7-9-14(13)17)5-3-4-6-15(18)19/h7,9,11,17H,2,4,6,8,10H2,1H3,(H,18,19)