O4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 4-O-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester O1-ethyl ester Formula: C17H18O7 MolecularWeight: 334.32062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C17H18O7/c1-2-21-16(19)6-7-17(20)24-11-13(18)12-4-5-14-15(10-12)23-9-3-8-22-14/h4-7,10H,2-3,8-9,11H2,1H3/b7-6+