4-(1,3-benzodioxol-5-yl)-4-oxidanylidene-2-(phenylmethyl)butanoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-4-oxidanylidene-2-(phenylmethyl)butanoic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-benzyl-4-oxo-butanoic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-4-oxo-2-(phenylmethyl)butanoic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-benzyl-4-oxobutanoic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-benzyl-4-keto-butyric acid Formula: C18H16O5 MolecularWeight: 312.31664

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H16O5/c19-15(13-6-7-16-17(10-13)23-11-22-16)9-14(18(20)21)8-12-4-2-1-3-5-12/h1-7,10,14H,8-9,11H2,(H,20,21)