[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 2-methylfuran-3-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 2-methylfuran-3-carboxylate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 2-methylfuran-3-carboxylate CAS Name: 2-methyl-3-furancarboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate Traditional Name: 2-methylfuran-3-carboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C17H16O6 MolecularWeight: 316.30534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=C(C=CO1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H16O6/c1-11-13(5-8-20-11)17(19)23-10-14(18)12-3-4-15-16(9-12)22-7-2-6-21-15/h3-5,8-9H,2,6-7,10H2,1H3