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

Systemtic Name: 2-[(3,5-dimethylphenyl)methyl]-4-oxidanyl-morpholin-4-ium-4-carbodithioic acid Openeye Name: 2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-morpholin-4-ium-4-carbodithioic acid CAS Name: 2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-4-morpholin-4-iumcarbodithioic acid IUPAC Name: 2-[(3,5-dimethylphenyl)methyl]-4-hydroxymorpholin-4-ium-4-carbodithioic acid Traditional Name: 2-(3,5-dimethylbenzyl)-4-hydroxy-morpholin-4-ium-4-carbodithioic acid Formula: C14H20NO2S2+ MolecularWeight: 298.4441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC2C[N+](CCO2)(C(=S)S)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)CC2C[N+](CCO2)(C(=S)S)O)C

InChI

InChI=1S/C14H19NO2S2/c1-10-5-11(2)7-12(6-10)8-13-9-15(16,14(18)19)3-4-17-13/h5-7,13,16H,3-4,8-9H2,1-2H3/p+1