2-carboxy-2-[(3,5-dimethylphenyl)methyl]-4-oxidanyl-pyrrolidine-1-carbodithioate

Systemtic Name: 2-carboxy-2-[(3,5-dimethylphenyl)methyl]-4-oxidanyl-pyrrolidine-1-carbodithioate Openeye Name: 2-carboxy-2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-pyrrolidine-1-carbodithioate CAS Name: 2-carboxy-2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-1-pyrrolidinecarbodithioate IUPAC Name: 2-carboxy-2-[(3,5-dimethylphenyl)methyl]-4-hydroxypyrrolidine-1-carbodithioate Traditional Name: 2-carboxy-2-(3,5-dimethylbenzyl)-4-hydroxy-pyrrolidine-1-carbodithioate Formula: C15H18NO3S2- MolecularWeight: 324.43832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC2(CC(CN2C(=S)[S-])O)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)CC2(CC(CN2C(=S)[S-])O)C(=O)O)C

InChI

InChI=1S/C15H19NO3S2/c1-9-3-10(2)5-11(4-9)6-15(13(18)19)7-12(17)8-16(15)14(20)21/h3-5,12,17H,6-8H2,1-2H3,(H,18,19)(H,20,21)/p-1