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4-[(5-iodanyl-2-methyl-phenyl)-oxidanyl-methyl]-3,5-dimethyl-benzoic acid

4-[(5-iodanyl-2-methyl-phenyl)-oxidanyl-methyl]-3,5-dimethyl-benzoic acid

Systemtic Name:4-[(5-iodanyl-2-methyl-phenyl)-oxidanyl-methyl]-3,5-dimethyl-benzoic acid
Openeye Name:4-[hydroxy-(5-iodo-2-methyl-phenyl)methyl]-3,5-dimethyl-benzoic acid
CAS Name:4-[hydroxy-(5-iodo-2-methylphenyl)methyl]-3,5-dimethylbenzoic acid
IUPAC Name:4-[hydroxy-(5-iodo-2-methylphenyl)methyl]-3,5-dimethylbenzoic acid
Traditional Name:4-[hydroxy-(5-iodo-2-methyl-phenyl)methyl]-3,5-dimethyl-benzoic acid
Formula: C17H17IO3
MolecularWeight: 396.21955
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)I)C(C2=C(C=C(C=C2C)C(=O)O)C)O


Isomeric SMILES

CC1=C(C=C(C=C1)I)C(C2=C(C=C(C=C2C)C(=O)O)C)O


InChI

InChI=1S/C17H17IO3/c1-9-4-5-13(18)8-14(9)16(19)15-10(2)6-12(17(20)21)7-11(15)3/h4-8,16,19H,1-3H3,(H,20,21)


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