7-iodoniabicyclo[4.3.0]nona-1,3,5,8-tetraene; 2-oxidanylpropanoate

Systemtic Name: 7-iodoniabicyclo[4.3.0]nona-1,3,5,8-tetraene; 2-oxidanylpropanoate Openeye Name: 2-hydroxypropanoate; 7-iodoniabicyclo[4.3.0]nona-1,3,5,8-tetraene CAS Name: 2-hydroxypropanoate; 7-iodoniabicyclo[4.3.0]nona-1,3,5,8-tetraene IUPAC Name: 2-hydroxypropanoate; 7-iodoniabicyclo[4.3.0]nona-1,3,5,8-tetraene Traditional Name: 7-iodoniabicyclo[4.3.0]nona-1,3,5,8-tetraene; lactate Formula: C22H22I2O6 MolecularWeight: 636.21542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])O.CC(C(=O)[O-])O.C1=CC=C2C(=C1)C=C[I+]2.C1=CC=C2C(=C1)C=C[I+]2

Isomeric SMILES

CC(C(=O)[O-])O.CC(C(=O)[O-])O.C1=CC=C2C(=C1)C=C[I+]2.C1=CC=C2C(=C1)C=C[I+]2

InChI

InChI=1S/2C8H6I.2C3H6O3/c2*1-2-4-8-7(3-1)5-6-9-8;2*1-2(4)3(5)6/h2*1-6H;2*2,4H,1H3,(H,5,6)/q2*+1;;/p-2