3-[(2S,3R,4R,5S,6R)-2-butoxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1-(2-chloroethyl)-1-nitroso-urea

Systemtic Name: 3-[(2S,3R,4R,5S,6R)-2-butoxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1-(2-chloroethyl)-1-nitroso-urea Openeye Name: 3-[(2S,3R,4R,5S,6R)-2-butoxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]-1-(2-chloroethyl)-1-nitroso-urea CAS Name: 3-[(2S,3R,4R,5S,6R)-2-butoxy-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]-1-(2-chloroethyl)-1-nitrosourea IUPAC Name: 3-[(2S,3R,4R,5S,6R)-2-butoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1-(2-chloroethyl)-1-nitrosourea Traditional Name: 3-[(2S,3R,4R,5S,6R)-2-butoxy-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]-1-(2-chloroethyl)-1-nitroso-urea Formula: C13H24ClN3O7 MolecularWeight: 369.79856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1C(C(C(C(O1)CO)O)O)NC(=O)N(CCCl)N=O

Isomeric SMILES

CCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)N(CCCl)N=O

InChI

InChI=1S/C13H24ClN3O7/c1-2-3-6-23-12-9(11(20)10(19)8(7-18)24-12)15-13(21)17(16-22)5-4-14/h8-12,18-20H,2-7H2,1H3,(H,15,21)/t8-,9-,10-,11-,12+/m1/s1