dimethyl (2E)-2-[(4-iodanyl-1,3-benzodioxol-5-yl)methylidene]butanedioate

Systemtic Name: dimethyl (2E)-2-[(4-iodanyl-1,3-benzodioxol-5-yl)methylidene]butanedioate Openeye Name: dimethyl (2E)-2-[(4-iodo-1,3-benzodioxol-5-yl)methylene]butanedioate CAS Name: (2E)-2-[(4-iodo-1,3-benzodioxol-5-yl)methylidene]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2E)-2-[(4-iodo-1,3-benzodioxol-5-yl)methylidene]butanedioate Traditional Name: (2E)-2-[(4-iodo-1,3-benzodioxol-5-yl)methylene]succinic acid dimethyl ester Formula: C14H13IO6 MolecularWeight: 404.15389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=CC1=C(C2=C(C=C1)OCO2)I)C(=O)OC

Isomeric SMILES

COC(=O)C/C(=C\C1=C(C2=C(C=C1)OCO2)I)/C(=O)OC

InChI

InChI=1S/C14H13IO6/c1-18-11(16)6-9(14(17)19-2)5-8-3-4-10-13(12(8)15)21-7-20-10/h3-5H,6-7H2,1-2H3/b9-5+