dimethyl (2E)-2-(2-oxidanylideneoxepan-3-ylidene)butanedioate

Systemtic Name: dimethyl (2E)-2-(2-oxidanylideneoxepan-3-ylidene)butanedioate Openeye Name: dimethyl (2E)-2-(2-oxooxepan-3-ylidene)butanedioate CAS Name: (2E)-2-(2-oxo-3-oxepanylidene)butanedioic acid dimethyl ester IUPAC Name: dimethyl (2E)-2-(2-oxooxepan-3-ylidene)butanedioate Traditional Name: (2E)-2-(2-ketooxepan-3-ylidene)succinic acid dimethyl ester Formula: C12H16O6 MolecularWeight: 256.25184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=C1CCCCOC1=O)C(=O)OC

Isomeric SMILES

COC(=O)C/C(=C\1/CCCCOC1=O)/C(=O)OC

InChI

InChI=1S/C12H16O6/c1-16-10(13)7-9(11(14)17-2)8-5-3-4-6-18-12(8)15/h3-7H2,1-2H3/b9-8+