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3-[(6-methyl-6-oxidanyl-heptan-2-yl)amino]propane-1-sulfonic acid

3-[(6-methyl-6-oxidanyl-heptan-2-yl)amino]propane-1-sulfonic acid

Systemtic Name:3-[(6-methyl-6-oxidanyl-heptan-2-yl)amino]propane-1-sulfonic acid
Openeye Name:3-[(5-hydroxy-1,5-dimethyl-hexyl)amino]propane-1-sulfonic acid
CAS Name:3-[(6-hydroxy-6-methylheptan-2-yl)amino]-1-propanesulfonic acid
IUPAC Name:3-[(6-hydroxy-6-methylheptan-2-yl)amino]propane-1-sulfonic acid
Traditional Name:3-[(5-hydroxy-1,5-dimethyl-hexyl)amino]propane-1-sulfonic acid
Formula: C11H25NO4S
MolecularWeight: 267.3855
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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)NCCCS(=O)(=O)O


Isomeric SMILES

CC(CCCC(C)(C)O)NCCCS(=O)(=O)O


InChI

InChI=1S/C11H25NO4S/c1-10(6-4-7-11(2,3)13)12-8-5-9-17(14,15)16/h10,12-13H,4-9H2,1-3H3,(H,14,15,16)


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