benzoic acid; 1-iodosyl-2-methyl-benzene

Systemtic Name: benzoic acid; 1-iodosyl-2-methyl-benzene Openeye Name: benzoic acid; 1-iodosyl-2-methyl-benzene CAS Name: benzoic acid; 1-iodosyl-2-methylbenzene IUPAC Name: benzoic acid; 1-iodosyl-2-methylbenzene Traditional Name: benzoic acid; 1-iodosyl-2-methyl-benzene Formula: C21H19IO5 MolecularWeight: 478.27703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1I=O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1I=O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C7H7IO.2C7H6O2/c1-6-4-2-3-5-7(6)8-9;2*8-7(9)6-4-2-1-3-5-6/h2-5H,1H3;2*1-5H,(H,8,9)