3-[3,4-bis(oxidanyl)phenyl]propanoate

Systemtic Name: 3-[3,4-bis(oxidanyl)phenyl]propanoate Openeye Name: 3-(3,4-dihydroxyphenyl)propanoate CAS Name: 3-(3,4-dihydroxyphenyl)propanoate IUPAC Name: 3-(3,4-dihydroxyphenyl)propanoate Traditional Name: 3-(3,4-dihydroxyphenyl)propionate Formula: C9H9O4- MolecularWeight: 181.16536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCC(=O)[O-])O)O

Isomeric SMILES

C1=CC(=C(C=C1CCC(=O)[O-])O)O

InChI

InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)/p-1