3-[6-(5-oxidanyl-6-propyl-cyclohexa-1,5-dien-1-yl)oxyhexan-3-yl]benzene-1,2-diol

Systemtic Name: 3-[6-(5-oxidanyl-6-propyl-cyclohexa-1,5-dien-1-yl)oxyhexan-3-yl]benzene-1,2-diol Openeye Name: 3-[1-ethyl-4-(5-hydroxy-6-propyl-cyclohexa-1,5-dien-1-yl)oxy-butyl]benzene-1,2-diol CAS Name: 3-[6-[(5-hydroxy-6-propyl-1-cyclohexa-1,5-dienyl)oxy]hexan-3-yl]benzene-1,2-diol IUPAC Name: 3-[6-(5-hydroxy-6-propylcyclohexa-1,5-dien-1-yl)oxyhexan-3-yl]benzene-1,2-diol Traditional Name: 3-[1-ethyl-4-(5-hydroxy-6-propyl-cyclohexa-1,5-dien-1-yl)oxy-butyl]pyrocatechol Formula: C21H30O4 MolecularWeight: 346.4605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(CCC=C1OCCCC(CC)C2=C(C(=CC=C2)O)O)O

Isomeric SMILES

CCCC1=C(CCC=C1OCCCC(CC)C2=C(C(=CC=C2)O)O)O

InChI

InChI=1S/C21H30O4/c1-3-8-17-18(22)11-6-13-20(17)25-14-7-9-15(4-2)16-10-5-12-19(23)21(16)24/h5,10,12-13,15,22-24H,3-4,6-9,11,14H2,1-2H3