[3-bromanyl-1-[(2-iodanylphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-yl] propanoate

Systemtic Name: [3-bromanyl-1-[(2-iodanylphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-yl] propanoate Openeye Name: [3-bromo-1-[(2-iodophenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-yl] propanoate CAS Name: propanoic acid [3-bromo-1-[(2-iodophenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-yl] ester IUPAC Name: [3-bromo-1-[(2-iodophenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-yl] propanoate Traditional Name: propionic acid [3-bromo-1-[(2-iodophenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-yl] ester Formula: C22H19BrINO3 MolecularWeight: 552.19963

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C2C(=C1C=NC3=CC=CC=C3I)C4=C(O2)CCCC4)Br

Isomeric SMILES

CCC(=O)OC1=C(C=C2C(=C1C=NC3=CC=CC=C3I)C4=C(O2)CCCC4)Br

InChI

InChI=1S/C22H19BrINO3/c1-2-20(26)28-22-14(12-25-17-9-5-4-8-16(17)24)21-13-7-3-6-10-18(13)27-19(21)11-15(22)23/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3