ethane-1,2-diamine; (3,4,5-triacetyloxy-1-oxidanyl-6-sulfanyl-hexan-2-yl) ethanoate

Systemtic Name: ethane-1,2-diamine; (3,4,5-triacetyloxy-1-oxidanyl-6-sulfanyl-hexan-2-yl) ethanoate Openeye Name: ethane-1,2-diamine; [2,3,4-triacetoxy-1-(hydroxymethyl)-5-sulfanyl-pentyl] acetate CAS Name: acetic acid (3,4,5-triacetyloxy-1-hydroxy-6-mercaptohexan-2-yl) ester; ethane-1,2-diamine IUPAC Name: ethane-1,2-diamine; (3,4,5-triacetyloxy-1-hydroxy-6-sulfanylhexan-2-yl) acetate Traditional Name: acetic acid (2,3,4-triacetoxy-5-mercapto-1-methylol-pentyl) ester; 2-aminoethylamine Formula: C16H30N2O9S MolecularWeight: 426.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CO)C(C(C(CS)OC(=O)C)OC(=O)C)OC(=O)C.C(CN)N

Isomeric SMILES

CC(=O)OC(CO)C(C(C(CS)OC(=O)C)OC(=O)C)OC(=O)C.C(CN)N

InChI

InChI=1S/C14H22O9S.C2H8N2/c1-7(16)20-11(5-15)13(22-9(3)18)14(23-10(4)19)12(6-24)21-8(2)17;3-1-2-4/h11-15,24H,5-6H2,1-4H3;1-4H2