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

Systemtic Name: 3-[3,4-bis(oxidanyl)phenyl]propanoate; 3-phenylpropanoate Openeye Name: 3-(3,4-dihydroxyphenyl)propanoate; 3-phenylpropanoate CAS Name: 3-(3,4-dihydroxyphenyl)propanoate; 3-phenylpropanoate IUPAC Name: 3-(3,4-dihydroxyphenyl)propanoate; 3-phenylpropanoate Traditional Name: 3-(3,4-dihydroxyphenyl)propionate; 3-phenylpropionate Formula: C18H18O6-2 MolecularWeight: 330.33192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O4.C9H10O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13;10-9(11)7-6-8-4-2-1-3-5-8/h1,3,5,10-11H,2,4H2,(H,12,13);1-5H,6-7H2,(H,10,11)/p-2