2-[bis(5-methylfuran-2-yl)methyl]-5-iodanyl-benzoic acid

Systemtic Name: 2-[bis(5-methylfuran-2-yl)methyl]-5-iodanyl-benzoic acid Openeye Name: 2-[bis(5-methyl-2-furyl)methyl]-5-iodo-benzoic acid CAS Name: 2-[bis(5-methyl-2-furanyl)methyl]-5-iodobenzoic acid IUPAC Name: 2-[bis(5-methylfuran-2-yl)methyl]-5-iodobenzoic acid Traditional Name: 2-[bis(5-methyl-2-furyl)methyl]-5-iodo-benzoic acid Formula: C18H15IO4 MolecularWeight: 422.21377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C2=C(C=C(C=C2)I)C(=O)O)C3=CC=C(O3)C

Isomeric SMILES

CC1=CC=C(O1)C(C2=C(C=C(C=C2)I)C(=O)O)C3=CC=C(O3)C

InChI

InChI=1S/C18H15IO4/c1-10-3-7-15(22-10)17(16-8-4-11(2)23-16)13-6-5-12(19)9-14(13)18(20)21/h3-9,17H,1-2H3,(H,20,21)