1-(1-cyclohexylethyl)-4-isothiocyanato-cyclohexane; 1-(1-cyclohexylpropyl)-4-isothiocyanato-cyclohexane

Systemtic Name: 1-(1-cyclohexylethyl)-4-isothiocyanato-cyclohexane; 1-(1-cyclohexylpropyl)-4-isothiocyanato-cyclohexane Openeye Name: 1-(1-cyclohexylethyl)-4-isothiocyanato-cyclohexane; 1-(1-cyclohexylpropyl)-4-isothiocyanato-cyclohexane CAS Name: 1-(1-cyclohexylethyl)-4-isothiocyanatocyclohexane; 1-(1-cyclohexylpropyl)-4-isothiocyanatocyclohexane IUPAC Name: 1-(1-cyclohexylethyl)-4-isothiocyanatocyclohexane; 1-(1-cyclohexylpropyl)-4-isothiocyanatocyclohexane Traditional Name: 1-(1-cyclohexylethyl)-4-isothiocyanato-cyclohexane; 1-(1-cyclohexylpropyl)-4-isothiocyanato-cyclohexane Formula: C31H52N2S2 MolecularWeight: 516.88798

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCCC1)C2CCC(CC2)N=C=S.CC(C1CCCCC1)C2CCC(CC2)N=C=S

Isomeric SMILES

CCC(C1CCCCC1)C2CCC(CC2)N=C=S.CC(C1CCCCC1)C2CCC(CC2)N=C=S

InChI

InChI=1S/C16H27NS.C15H25NS/c1-2-16(13-6-4-3-5-7-13)14-8-10-15(11-9-14)17-12-18;1-12(13-5-3-2-4-6-13)14-7-9-15(10-8-14)16-11-17/h13-16H,2-11H2,1H3;12-15H,2-10H2,1H3