[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 2-(4-chloranyl-3-methyl-phenoxy)ethanoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 2-(4-chloranyl-3-methyl-phenoxy)ethanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 2-(4-chloro-3-methyl-phenoxy)acetate CAS Name: 2-(4-chloro-3-methylphenoxy)acetic 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-(4-chloro-3-methylphenoxy)acetate Traditional Name: 2-(4-chloro-3-methyl-phenoxy)acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C20H19ClO6 MolecularWeight: 390.81426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3)Cl

InChI

InChI=1S/C20H19ClO6/c1-13-9-15(4-5-16(13)21)26-12-20(23)27-11-17(22)14-3-6-18-19(10-14)25-8-2-7-24-18/h3-6,9-10H,2,7-8,11-12H2,1H3