4-[3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 4-[3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-propyl]benzoic acid Openeye Name: 4-[3-(1,3-benzodioxol-5-yl)-3-oxo-propyl]benzoic acid CAS Name: 4-[3-(1,3-benzodioxol-5-yl)-3-oxopropyl]benzoic acid IUPAC Name: 4-[3-(1,3-benzodioxol-5-yl)-3-oxopropyl]benzoic acid Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)-3-keto-propyl]benzoic acid Formula: C17H14O5 MolecularWeight: 298.29006

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CCC3=CC=C(C=C3)C(=O)O

InChI

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