trisodium N,N-bis(5-oxidanyl-5-oxidanylidene-pentyl)carbamodithioate

Systemtic Name: trisodium N,N-bis(5-oxidanyl-5-oxidanylidene-pentyl)carbamodithioate Openeye Name: trisodium N,N-bis(5-hydroxy-5-oxo-pentyl)carbamodithioate CAS Name: trisodium N,N-bis(5-hydroxy-5-oxopentyl)carbamodithioate IUPAC Name: trisodium N,N-bis(5-hydroxy-5-oxopentyl)carbamodithioate Traditional Name: trisodium N,N-bis(5-hydroxy-5-keto-pentyl)carbamodithioate Formula: C33H54N3Na3O12S6 MolecularWeight: 946.15407

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Descriptors Computed from Structure

Canonical SMILES:

C(CCN(CCCCC(=O)O)C(=S)[S-])CC(=O)O.C(CCN(CCCCC(=O)O)C(=S)[S-])CC(=O)O.C(CCN(CCCCC(=O)O)C(=S)[S-])CC(=O)O.[Na+].[Na+].[Na+]

Isomeric SMILES

C(CCN(CCCCC(=O)O)C(=S)[S-])CC(=O)O.C(CCN(CCCCC(=O)O)C(=S)[S-])CC(=O)O.C(CCN(CCCCC(=O)O)C(=S)[S-])CC(=O)O.[Na+].[Na+].[Na+]

InChI

InChI=1S/3C11H19NO4S2.3Na/c3*13-9(14)5-1-3-7-12(11(17)18)8-4-2-6-10(15)16;;;/h3*1-8H2,(H,13,14)(H,15,16)(H,17,18);;;/q;;;3*+1/p-3