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3-(6-isothiocyanato-2-methyl-hexan-2-yl)-5-methyl-phenol

3-(6-isothiocyanato-2-methyl-hexan-2-yl)-5-methyl-phenol

Systemtic Name:3-(6-isothiocyanato-2-methyl-hexan-2-yl)-5-methyl-phenol
Openeye Name:3-(5-isothiocyanato-1,1-dimethyl-pentyl)-5-methyl-phenol
CAS Name:3-(6-isothiocyanato-2-methylhexan-2-yl)-5-methylphenol
IUPAC Name:3-(6-isothiocyanato-2-methylhexan-2-yl)-5-methylphenol
Traditional Name:3-(5-isothiocyanato-1,1-dimethyl-pentyl)-5-methyl-phenol
Formula: C15H21NOS
MolecularWeight: 263.39834
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)O)C(C)(C)CCCCN=C=S


Isomeric SMILES

CC1=CC(=CC(=C1)O)C(C)(C)CCCCN=C=S


InChI

InChI=1S/C15H21NOS/c1-12-8-13(10-14(17)9-12)15(2,3)6-4-5-7-16-11-18/h8-10,17H,4-7H2,1-3H3


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