(2E,3Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-pentan-2-ylidene-butanedioic acid

Systemtic Name: (2E,3Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-pentan-2-ylidene-butanedioic acid Openeye Name: (2E,3Z)-2-(1,3-benzodioxol-5-ylmethylene)-3-(1-methylbutylidene)butanedioic acid CAS Name: (2E,3Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-pentan-2-ylidenebutanedioic acid IUPAC Name: (2E,3Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-pentan-2-ylidenebutanedioic acid Traditional Name: (2Z,3E)-2-(1-methylbutylidene)-3-piperonylidene-succinic acid Formula: C17H18O6 MolecularWeight: 318.32122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC/C(=C(/C(=C\C1=CC2=C(C=C1)OCO2)/C(=O)O)\C(=O)O)/C

InChI

InChI=1S/C17H18O6/c1-3-4-10(2)15(17(20)21)12(16(18)19)7-11-5-6-13-14(8-11)23-9-22-13/h5-8H,3-4,9H2,1-2H3,(H,18,19)(H,20,21)/b12-7+,15-10-