(2Z,3R)-2-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-butanedioic acid

Systemtic Name: (2Z,3R)-2-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-butanedioic acid Openeye Name: (2Z,3R)-2-(1,3-benzodioxol-5-ylmethylene)-3-methyl-butanedioic acid CAS Name: (2Z,3R)-2-(1,3-benzodioxol-5-ylmethylidene)-3-methylbutanedioic acid IUPAC Name: (2Z,3R)-2-(1,3-benzodioxol-5-ylmethylidene)-3-methylbutanedioic acid Traditional Name: (2R,3Z)-2-methyl-3-piperonylidene-succinic acid Formula: C13H12O6 MolecularWeight: 264.23078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=CC1=CC2=C(C=C1)OCO2)C(=O)O)C(=O)O

Isomeric SMILES

C[C@H](/C(=C/C1=CC2=C(C=C1)OCO2)/C(=O)O)C(=O)O

InChI

InChI=1S/C13H12O6/c1-7(12(14)15)9(13(16)17)4-8-2-3-10-11(5-8)19-6-18-10/h2-5,7H,6H2,1H3,(H,14,15)(H,16,17)/b9-4-/t7-/m1/s1