3-[[5-(2-methylheptan-2-yl)-2-oxidanyl-phenoxy]methoxy]cyclohexa-2,4-diene-1-thione

Systemtic Name: 3-[[5-(2-methylheptan-2-yl)-2-oxidanyl-phenoxy]methoxy]cyclohexa-2,4-diene-1-thione Openeye Name: 3-[[5-(1,1-dimethylhexyl)-2-hydroxy-phenoxy]methoxy]cyclohexa-2,4-diene-1-thione CAS Name: 3-[[2-hydroxy-5-(2-methylheptan-2-yl)phenoxy]methoxy]-1-cyclohexa-2,4-dienethione IUPAC Name: 3-[[2-hydroxy-5-(2-methylheptan-2-yl)phenoxy]methoxy]cyclohexa-2,4-diene-1-thione Traditional Name: 3-[[5-(1,1-dimethylhexyl)-2-hydroxy-phenoxy]methoxy]cyclohexa-2,4-diene-1-thione Formula: C21H28O3S MolecularWeight: 360.51022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C(C=C1)O)OCOC2=CC(=S)CC=C2

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C(C=C1)O)OCOC2=CC(=S)CC=C2

InChI

InChI=1S/C21H28O3S/c1-4-5-6-12-21(2,3)16-10-11-19(22)20(13-16)24-15-23-17-8-7-9-18(25)14-17/h7-8,10-11,13-14,22H,4-6,9,12,15H2,1-3H3