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

Systemtic Name: 3-(6-isothiocyanato-2-methyl-hexan-2-yl)-5-methoxy-phenol Openeye Name: 3-(5-isothiocyanato-1,1-dimethyl-pentyl)-5-methoxy-phenol CAS Name: 3-(6-isothiocyanato-2-methylhexan-2-yl)-5-methoxyphenol IUPAC Name: 3-(6-isothiocyanato-2-methylhexan-2-yl)-5-methoxyphenol Traditional Name: 3-(5-isothiocyanato-1,1-dimethyl-pentyl)-5-methoxy-phenol Formula: C15H21NO2S MolecularWeight: 279.39774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO2S/c1-15(2,6-4-5-7-16-11-19)12-8-13(17)10-14(9-12)18-3/h8-10,17H,4-7H2,1-3H3