7-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)hept-5-ynoic acid

Systemtic Name: 7-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)hept-5-ynoic acid Openeye Name: 7-(4-acetyl-3-hydroxy-2-propyl-phenoxy)hept-5-ynoic acid CAS Name: 7-(4-acetyl-3-hydroxy-2-propylphenoxy)-5-heptynoic acid IUPAC Name: 7-(4-acetyl-3-hydroxy-2-propylphenoxy)hept-5-ynoic acid Traditional Name: 7-(4-acetyl-3-hydroxy-2-propyl-phenoxy)hept-5-ynoic acid Formula: C18H22O5 MolecularWeight: 318.36428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC#CCCCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC#CCCCC(=O)O

InChI

InChI=1S/C18H22O5/c1-3-8-15-16(11-10-14(13(2)19)18(15)22)23-12-7-5-4-6-9-17(20)21/h10-11,22H,3-4,6,8-9,12H2,1-2H3,(H,20,21)