benzene-1,2-diol; 1-iodanyl-3-phenyl-2-propyl-benzene

Systemtic Name: benzene-1,2-diol; 1-iodanyl-3-phenyl-2-propyl-benzene Openeye Name: benzene-1,2-diol; 1-iodo-3-phenyl-2-propyl-benzene CAS Name: benzene-1,2-diol; 1-iodo-3-phenyl-2-propylbenzene IUPAC Name: benzene-1,2-diol; 1-iodo-3-phenyl-2-propylbenzene Traditional Name: 1-iodo-3-phenyl-2-propyl-benzene; pyrocatechol Formula: C21H21IO2 MolecularWeight: 432.29471

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1I)C2=CC=CC=C2.C1=CC=C(C(=C1)O)O

Isomeric SMILES

CCCC1=C(C=CC=C1I)C2=CC=CC=C2.C1=CC=C(C(=C1)O)O

InChI

InChI=1S/C15H15I.C6H6O2/c1-2-7-14-13(10-6-11-15(14)16)12-8-4-3-5-9-12;7-5-3-1-2-4-6(5)8/h3-6,8-11H,2,7H2,1H3;1-4,7-8H