2-[(3-tert-butylphenyl)methyl]-2,3-dimethyl-4-oxidanyl-morpholin-4-ium-4-carbodithioate

Systemtic Name: 2-[(3-tert-butylphenyl)methyl]-2,3-dimethyl-4-oxidanyl-morpholin-4-ium-4-carbodithioate Openeye Name: 2-[(3-tert-butylphenyl)methyl]-4-hydroxy-2,3-dimethyl-morpholin-4-ium-4-carbodithioate CAS Name: 2-[(3-tert-butylphenyl)methyl]-4-hydroxy-2,3-dimethyl-4-morpholin-4-iumcarbodithioate IUPAC Name: 2-[(3-tert-butylphenyl)methyl]-4-hydroxy-2,3-dimethylmorpholin-4-ium-4-carbodithioate Traditional Name: 2-(3-tert-butylbenzyl)-4-hydroxy-2,3-dimethyl-morpholin-4-ium-4-carbodithioate Formula: C18H27NO2S2 MolecularWeight: 353.54248

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OCC[N+]1(C(=S)[S-])O)(C)CC2=CC(=CC=C2)C(C)(C)C

Isomeric SMILES

CC1C(OCC[N+]1(C(=S)[S-])O)(C)CC2=CC(=CC=C2)C(C)(C)C

InChI

InChI=1S/C18H27NO2S2/c1-13-18(5,21-10-9-19(13,20)16(22)23)12-14-7-6-8-15(11-14)17(2,3)4/h6-8,11,13,20H,9-10,12H2,1-5H3