3-hexan-3-yl-4-[(4-isothiocyanatophenoxy)methyl]bicyclo[2.2.2]octane

Systemtic Name: 3-hexan-3-yl-4-[(4-isothiocyanatophenoxy)methyl]bicyclo[2.2.2]octane Openeye Name: 3-(1-ethylbutyl)-4-[(4-isothiocyanatophenoxy)methyl]bicyclo[2.2.2]octane CAS Name: 3-hexan-3-yl-4-[(4-isothiocyanatophenoxy)methyl]bicyclo[2.2.2]octane IUPAC Name: 3-hexan-3-yl-4-[(4-isothiocyanatophenoxy)methyl]bicyclo[2.2.2]octane Traditional Name: 3-(1-ethylbutyl)-4-[(4-isothiocyanatophenoxy)methyl]bicyclo[2.2.2]octane Formula: C22H31NOS MolecularWeight: 357.55264

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)C1CC2CCC1(CC2)COC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCC(CC)C1CC2CCC1(CC2)COC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C22H31NOS/c1-3-5-18(4-2)21-14-17-10-12-22(21,13-11-17)15-24-20-8-6-19(7-9-20)23-16-25/h6-9,17-18,21H,3-5,10-15H2,1-2H3