6-isothiocyanato-6-methyl-2-(4-methylcyclohex-3-en-1-yl)heptan-2-ol

Systemtic Name: 6-isothiocyanato-6-methyl-2-(4-methylcyclohex-3-en-1-yl)heptan-2-ol Openeye Name: 6-isothiocyanato-6-methyl-2-(4-methylcyclohex-3-en-1-yl)heptan-2-ol CAS Name: 6-isothiocyanato-6-methyl-2-(4-methyl-1-cyclohex-3-enyl)-2-heptanol IUPAC Name: 6-isothiocyanato-6-methyl-2-(4-methylcyclohex-3-en-1-yl)heptan-2-ol Traditional Name: 6-isothiocyanato-6-methyl-2-(4-methylcyclohex-3-en-1-yl)heptan-2-ol Formula: C16H27NOS MolecularWeight: 281.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(CC1)C(C)(CCCC(C)(C)N=C=S)O

Isomeric SMILES

CC1=CCC(CC1)C(C)(CCCC(C)(C)N=C=S)O

InChI

InChI=1S/C16H27NOS/c1-13-6-8-14(9-7-13)16(4,18)11-5-10-15(2,3)17-12-19/h6,14,18H,5,7-11H2,1-4H3