3-[3-[2,3-bis(oxidanyl)propyl]-5-(phenylcarbonyl)thiophen-2-yl]propanoate

Systemtic Name: 3-[3-[2,3-bis(oxidanyl)propyl]-5-(phenylcarbonyl)thiophen-2-yl]propanoate Openeye Name: 3-[5-benzoyl-3-(2,3-dihydroxypropyl)-2-thienyl]propanoate CAS Name: 3-[5-benzoyl-3-(2,3-dihydroxypropyl)-2-thiophenyl]propanoate IUPAC Name: 3-[5-benzoyl-3-(2,3-dihydroxypropyl)thiophen-2-yl]propanoate Traditional Name: 3-(5-benzoyl-3-glyceryl-2-thienyl)propionate Formula: C17H17O5S- MolecularWeight: 333.37888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(S2)CCC(=O)[O-])CC(CO)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(S2)CCC(=O)[O-])CC(CO)O

InChI

InChI=1S/C17H18O5S/c18-10-13(19)8-12-9-15(23-14(12)6-7-16(20)21)17(22)11-4-2-1-3-5-11/h1-5,9,13,18-19H,6-8,10H2,(H,20,21)/p-1