4-[[3-methanoyl-2-(4-oxidanyl-4-oxidanylidene-butoxy)phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[3-methanoyl-2-(4-oxidanyl-4-oxidanylidene-butoxy)phenoxy]methyl]benzoic acid Openeye Name: 4-[[3-formyl-2-(4-hydroxy-4-oxo-butoxy)phenoxy]methyl]benzoic acid CAS Name: 4-[[3-formyl-2-(4-hydroxy-4-oxobutoxy)phenoxy]methyl]benzoic acid IUPAC Name: 4-[[3-formyl-2-(4-hydroxy-4-oxobutoxy)phenoxy]methyl]benzoic acid Traditional Name: 4-[[3-formyl-2-(4-hydroxy-4-keto-butoxy)phenoxy]methyl]benzoic acid Formula: C19H18O7 MolecularWeight: 358.34202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18O7/c20-11-15-3-1-4-16(18(15)25-10-2-5-17(21)22)26-12-13-6-8-14(9-7-13)19(23)24/h1,3-4,6-9,11H,2,5,10,12H2,(H,21,22)(H,23,24)