4-[4-(1,3-benzodioxol-5-yl)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(1,3-benzodioxol-5-yl)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(1,3-benzodioxol-5-yl)phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-(1,3-benzodioxol-5-yl)phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(1,3-benzodioxol-5-yl)phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-(1,3-benzodioxol-5-yl)phenyl]-4-keto-butyric acid Formula: C17H14O5 MolecularWeight: 298.29006

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC=C(C=C3)C(=O)CCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC=C(C=C3)C(=O)CCC(=O)O

InChI

InChI=1S/C17H14O5/c18-14(6-8-17(19)20)12-3-1-11(2-4-12)13-5-7-15-16(9-13)22-10-21-15/h1-5,7,9H,6,8,10H2,(H,19,20)