3-iodanyl-4,5,6-trioctyl-benzene-1,2-diol

Systemtic Name: 3-iodanyl-4,5,6-trioctyl-benzene-1,2-diol Openeye Name: 3-iodo-4,5,6-trioctyl-benzene-1,2-diol CAS Name: 3-iodo-4,5,6-trioctylbenzene-1,2-diol IUPAC Name: 3-iodo-4,5,6-trioctylbenzene-1,2-diol Traditional Name: 3-iodo-4,5,6-trioctyl-pyrocatechol Formula: C30H53IO2 MolecularWeight: 572.64509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C(=C1CCCCCCCC)I)O)O)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C(=C1CCCCCCCC)I)O)O)CCCCCCCC

InChI

InChI=1S/C30H53IO2/c1-4-7-10-13-16-19-22-25-26(23-20-17-14-11-8-5-2)28(31)30(33)29(32)27(25)24-21-18-15-12-9-6-3/h32-33H,4-24H2,1-3H3