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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(CCC=C1OCCCCCCC2=C(C(=CC=C2)O)O)O

Isomeric SMILES

CCCC1=C(CCC=C1OCCCCCCC2=C(C(=CC=C2)O)O)O

InChI

InChI=1S/C21H30O4/c1-2-9-17-18(22)12-8-14-20(17)25-15-6-4-3-5-10-16-11-7-13-19(23)21(16)24/h7,11,13-14,22-24H,2-6,8-10,12,15H2,1H3