3-(7-isothiocyanato-2-methyl-heptan-2-yl)-5-methoxy-phenol

Systemtic Name: 3-(7-isothiocyanato-2-methyl-heptan-2-yl)-5-methoxy-phenol Openeye Name: 3-(6-isothiocyanato-1,1-dimethyl-hexyl)-5-methoxy-phenol CAS Name: 3-(7-isothiocyanato-2-methylheptan-2-yl)-5-methoxyphenol IUPAC Name: 3-(7-isothiocyanato-2-methylheptan-2-yl)-5-methoxyphenol Traditional Name: 3-(6-isothiocyanato-1,1-dimethyl-hexyl)-5-methoxy-phenol Formula: C16H23NO2S MolecularWeight: 293.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO2S/c1-16(2,7-5-4-6-8-17-12-20)13-9-14(18)11-15(10-13)19-3/h9-11,18H,4-8H2,1-3H3