3-[2-[1-(1,3-benzodioxol-5-yl)-2-oxidanyl-2-oxidanylidene-ethoxy]phenyl]propanoic acid

Systemtic Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2-oxidanyl-2-oxidanylidene-ethoxy]phenyl]propanoic acid Openeye Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2-hydroxy-2-oxo-ethoxy]phenyl]propanoic acid CAS Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2-hydroxy-2-oxoethoxy]phenyl]propanoic acid IUPAC Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2-hydroxy-2-oxoethoxy]phenyl]propanoic acid Traditional Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2-hydroxy-2-keto-ethoxy]phenyl]propionic acid Formula: C18H16O7 MolecularWeight: 344.31544

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C(=O)O)OC3=CC=CC=C3CCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C(=O)O)OC3=CC=CC=C3CCC(=O)O

InChI

InChI=1S/C18H16O7/c19-16(20)8-6-11-3-1-2-4-13(11)25-17(18(21)22)12-5-7-14-15(9-12)24-10-23-14/h1-5,7,9,17H,6,8,10H2,(H,19,20)(H,21,22)