ethyl 4-[3,3-bis(oxidanyl)propyl]benzoate

Systemtic Name: ethyl 4-[3,3-bis(oxidanyl)propyl]benzoate Openeye Name: ethyl 4-(3,3-dihydroxypropyl)benzoate CAS Name: 4-(3,3-dihydroxypropyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(3,3-dihydroxypropyl)benzoate Traditional Name: 4-(3,3-dihydroxypropyl)benzoic acid ethyl ester Formula: C12H16O4 MolecularWeight: 224.25304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCC(O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCC(O)O

InChI

InChI=1S/C12H16O4/c1-2-16-12(15)10-6-3-9(4-7-10)5-8-11(13)14/h3-4,6-7,11,13-14H,2,5,8H2,1H3