4,5-diheptyl-3-iodanyl-benzene-1,2-diol

Systemtic Name: 4,5-diheptyl-3-iodanyl-benzene-1,2-diol Openeye Name: 4,5-diheptyl-3-iodo-benzene-1,2-diol CAS Name: 4,5-diheptyl-3-iodobenzene-1,2-diol IUPAC Name: 4,5-diheptyl-3-iodobenzene-1,2-diol Traditional Name: 4,5-diheptyl-3-iodo-pyrocatechol Formula: C20H33IO2 MolecularWeight: 432.37929

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C(=C1CCCCCCC)I)O)O

Isomeric SMILES

CCCCCCCC1=CC(=C(C(=C1CCCCCCC)I)O)O

InChI

InChI=1S/C20H33IO2/c1-3-5-7-9-11-13-16-15-18(22)20(23)19(21)17(16)14-12-10-8-6-4-2/h15,22-23H,3-14H2,1-2H3