2-octoxy-5-(2,4,4-trimethylpentan-2-yl)benzenethiol

Systemtic Name: 2-octoxy-5-(2,4,4-trimethylpentan-2-yl)benzenethiol Openeye Name: 2-octoxy-5-(1,1,3,3-tetramethylbutyl)benzenethiol CAS Name: 2-octoxy-5-(2,4,4-trimethylpentan-2-yl)benzenethiol IUPAC Name: 2-octoxy-5-(2,4,4-trimethylpentan-2-yl)benzenethiol Traditional Name: 2-octoxy-5-(1,1,3,3-tetramethylbutyl)benzenethiol Formula: C22H38OS MolecularWeight: 350.60152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)S

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)S

InChI

InChI=1S/C22H38OS/c1-7-8-9-10-11-12-15-23-19-14-13-18(16-20(19)24)22(5,6)17-21(2,3)4/h13-14,16,24H,7-12,15,17H2,1-6H3