dimethyl 1-butyl-4-methyl-dibenzo-p-dioxin-2,3-dicarboxylate

Systemtic Name: dimethyl 1-butyl-4-methyl-dibenzo-p-dioxin-2,3-dicarboxylate Openeye Name: dimethyl 1-butyl-4-methyl-dibenzo-p-dioxin-2,3-dicarboxylate CAS Name: 1-butyl-4-methyldibenzo-p-dioxin-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-butyl-4-methyldibenzo-p-dioxin-2,3-dicarboxylate Traditional Name: 1-butyl-4-methyl-dibenzo-p-dioxin-2,3-dicarboxylic acid dimethyl ester Formula: C21H22O6 MolecularWeight: 370.39578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=C(C(=C1C(=O)OC)C(=O)OC)C)OC3=CC=CC=C3O2

Isomeric SMILES

CCCCC1=C2C(=C(C(=C1C(=O)OC)C(=O)OC)C)OC3=CC=CC=C3O2

InChI

InChI=1S/C21H22O6/c1-5-6-9-13-17(21(23)25-4)16(20(22)24-3)12(2)18-19(13)27-15-11-8-7-10-14(15)26-18/h7-8,10-11H,5-6,9H2,1-4H3