carbamodithioic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol

Systemtic Name: carbamodithioic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol Openeye Name: carbamodithioic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol CAS Name: carbamodithioic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol IUPAC Name: carbamodithioic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol Traditional Name: carbamodithioic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol Formula: C8H20N2O5S2 MolecularWeight: 288.3848

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(C(C(C(CO)O)O)O)O.C(=S)(N)S

Isomeric SMILES

CNCC(C(C(C(CO)O)O)O)O.C(=S)(N)S

InChI

InChI=1S/C7H17NO5.CH3NS2/c1-8-2-4(10)6(12)7(13)5(11)3-9;2-1(3)4/h4-13H,2-3H2,1H3;(H3,2,3,4)