trisodium N,N-bis(4-oxidanyl-4-oxidanylidene-butyl)carbamodithioate

Systemtic Name: trisodium N,N-bis(4-oxidanyl-4-oxidanylidene-butyl)carbamodithioate Openeye Name: trisodium N,N-bis(4-hydroxy-4-oxo-butyl)carbamodithioate CAS Name: trisodium N,N-bis(4-hydroxy-4-oxobutyl)carbamodithioate IUPAC Name: trisodium N,N-bis(4-hydroxy-4-oxobutyl)carbamodithioate Traditional Name: trisodium N,N-bis(4-hydroxy-4-keto-butyl)carbamodithioate Formula: C27H42N3Na3O12S6 MolecularWeight: 861.99459

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)O)CN(CCCC(=O)O)C(=S)[S-].C(CC(=O)O)CN(CCCC(=O)O)C(=S)[S-].C(CC(=O)O)CN(CCCC(=O)O)C(=S)[S-].[Na+].[Na+].[Na+]

Isomeric SMILES

C(CC(=O)O)CN(CCCC(=O)O)C(=S)[S-].C(CC(=O)O)CN(CCCC(=O)O)C(=S)[S-].C(CC(=O)O)CN(CCCC(=O)O)C(=S)[S-].[Na+].[Na+].[Na+]

InChI

InChI=1S/3C9H15NO4S2.3Na/c3*11-7(12)3-1-5-10(9(15)16)6-2-4-8(13)14;;;/h3*1-6H2,(H,11,12)(H,13,14)(H,15,16);;;/q;;;3*+1/p-3