benzene-1,2-diol; 1-iodanyl-3-(2-phenylpropyl)benzene

Systemtic Name: benzene-1,2-diol; 1-iodanyl-3-(2-phenylpropyl)benzene Openeye Name: benzene-1,2-diol; 1-iodo-3-(2-phenylpropyl)benzene CAS Name: benzene-1,2-diol; 1-iodo-3-(2-phenylpropyl)benzene IUPAC Name: benzene-1,2-diol; 1-iodo-3-(2-phenylpropyl)benzene Traditional Name: 1-iodo-3-(2-phenylpropyl)benzene; pyrocatechol Formula: C21H21IO2 MolecularWeight: 432.29471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC=C1)I)C2=CC=CC=C2.C1=CC=C(C(=C1)O)O

Isomeric SMILES

CC(CC1=CC(=CC=C1)I)C2=CC=CC=C2.C1=CC=C(C(=C1)O)O

InChI

InChI=1S/C15H15I.C6H6O2/c1-12(14-7-3-2-4-8-14)10-13-6-5-9-15(16)11-13;7-5-3-1-2-4-6(5)8/h2-9,11-12H,10H2,1H3;1-4,7-8H