[1-(3,4-dimethoxyphenyl)-4-iodanyl-butyl] methanoate

Systemtic Name: [1-(3,4-dimethoxyphenyl)-4-iodanyl-butyl] methanoate Openeye Name: [1-(3,4-dimethoxyphenyl)-4-iodo-butyl] formate CAS Name: formic acid [1-(3,4-dimethoxyphenyl)-4-iodobutyl] ester IUPAC Name: [1-(3,4-dimethoxyphenyl)-4-iodobutyl] formate Traditional Name: formic acid [1-(3,4-dimethoxyphenyl)-4-iodo-butyl] ester Formula: C13H17IO4 MolecularWeight: 364.17615

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCI)OC=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCCI)OC=O)OC

InChI

InChI=1S/C13H17IO4/c1-16-12-6-5-10(8-13(12)17-2)11(18-9-15)4-3-7-14/h5-6,8-9,11H,3-4,7H2,1-2H3