2-(4-oxidanyl-4-oxidanylidene-butyl)-3-phenylmethoxy-benzoic acid

Systemtic Name: 2-(4-oxidanyl-4-oxidanylidene-butyl)-3-phenylmethoxy-benzoic acid Openeye Name: 3-benzyloxy-2-(4-hydroxy-4-oxo-butyl)benzoic acid CAS Name: 2-(4-hydroxy-4-oxobutyl)-3-phenylmethoxybenzoic acid IUPAC Name: 2-(4-hydroxy-4-oxobutyl)-3-phenylmethoxybenzoic acid Traditional Name: 3-benzoxy-2-(4-hydroxy-4-keto-butyl)benzoic acid Formula: C18H18O5 MolecularWeight: 314.33252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2CCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2CCCC(=O)O)C(=O)O

InChI

InChI=1S/C18H18O5/c19-17(20)11-5-8-14-15(18(21)22)9-4-10-16(14)23-12-13-6-2-1-3-7-13/h1-4,6-7,9-10H,5,8,11-12H2,(H,19,20)(H,21,22)