2-[(3,5-ditert-butylphenyl)methyl]-4-oxidanyl-morpholin-4-ium-4-carbodithioic acid

Systemtic Name: 2-[(3,5-ditert-butylphenyl)methyl]-4-oxidanyl-morpholin-4-ium-4-carbodithioic acid Openeye Name: 2-[(3,5-ditert-butylphenyl)methyl]-4-hydroxy-morpholin-4-ium-4-carbodithioic acid CAS Name: 2-[(3,5-ditert-butylphenyl)methyl]-4-hydroxy-4-morpholin-4-iumcarbodithioic acid IUPAC Name: 2-[(3,5-ditert-butylphenyl)methyl]-4-hydroxymorpholin-4-ium-4-carbodithioic acid Traditional Name: 2-(3,5-ditert-butylbenzyl)-4-hydroxy-morpholin-4-ium-4-carbodithioic acid Formula: C20H32NO2S2+ MolecularWeight: 382.60358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CC2C[N+](CCO2)(C(=S)S)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CC2C[N+](CCO2)(C(=S)S)O)C(C)(C)C

InChI

InChI=1S/C20H31NO2S2/c1-19(2,3)15-9-14(10-16(12-15)20(4,5)6)11-17-13-21(22,18(24)25)7-8-23-17/h9-10,12,17,22H,7-8,11,13H2,1-6H3/p+1