3-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]benzoic acid

Systemtic Name: 3-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]benzoic acid Openeye Name: 3-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]benzoic acid CAS Name: 3-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]benzoic acid IUPAC Name: 3-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]benzoic acid Traditional Name: 3-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]benzoic acid Formula: C18H18O5 MolecularWeight: 314.33252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C18H18O5/c1-3-13-8-15(11(2)19)16(20)9-17(13)23-10-12-5-4-6-14(7-12)18(21)22/h4-9,20H,3,10H2,1-2H3,(H,21,22)