[2,7-bis(oxidanyl)-5-(2-oxidanylpropyl)-5-sulfanyl-octan-4-yl]azanium

Systemtic Name: [2,7-bis(oxidanyl)-5-(2-oxidanylpropyl)-5-sulfanyl-octan-4-yl]azanium Openeye Name: [4-hydroxy-1,2-bis(2-hydroxypropyl)-2-sulfanyl-pentyl]ammonium CAS Name: [2,7-dihydroxy-5-(2-hydroxypropyl)-5-mercaptooctan-4-yl]ammonium IUPAC Name: [2,7-dihydroxy-5-(2-hydroxypropyl)-5-sulfanyloctan-4-yl]azanium Traditional Name: [4-hydroxy-1,2-bis(2-hydroxypropyl)-2-mercapto-pentyl]ammonium Formula: C11H26NO3S+ MolecularWeight: 252.39404

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(CC(C)O)(CC(C)O)S)[NH3+])O

Isomeric SMILES

CC(CC(C(CC(C)O)(CC(C)O)S)[NH3+])O

InChI

InChI=1S/C11H25NO3S/c1-7(13)4-10(12)11(16,5-8(2)14)6-9(3)15/h7-10,13-16H,4-6,12H2,1-3H3/p+1