4-ethenyl-3-(6-methyl-6-oxidanyl-heptyl)-5-phenyl-benzene-1,2-diol

Systemtic Name: 4-ethenyl-3-(6-methyl-6-oxidanyl-heptyl)-5-phenyl-benzene-1,2-diol Openeye Name: 3-(6-hydroxy-6-methyl-heptyl)-5-phenyl-4-vinyl-benzene-1,2-diol CAS Name: 4-ethenyl-3-(6-hydroxy-6-methylheptyl)-5-phenylbenzene-1,2-diol IUPAC Name: 4-ethenyl-3-(6-hydroxy-6-methylheptyl)-5-phenylbenzene-1,2-diol Traditional Name: 3-(6-hydroxy-6-methyl-heptyl)-5-phenyl-4-vinyl-pyrocatechol Formula: C22H28O3 MolecularWeight: 340.45592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCCC1=C(C(=CC(=C1O)O)C2=CC=CC=C2)C=C)O

Isomeric SMILES

CC(C)(CCCCCC1=C(C(=CC(=C1O)O)C2=CC=CC=C2)C=C)O

InChI

InChI=1S/C22H28O3/c1-4-17-18(13-9-6-10-14-22(2,3)25)21(24)20(23)15-19(17)16-11-7-5-8-12-16/h4-5,7-8,11-12,15,23-25H,1,6,9-10,13-14H2,2-3H3