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1-[bis[3-(octylamino)-2-oxidanyl-propyl]amino]ethanesulfonic acid

1-[bis[3-(octylamino)-2-oxidanyl-propyl]amino]ethanesulfonic acid

Systemtic Name:1-[bis[3-(octylamino)-2-oxidanyl-propyl]amino]ethanesulfonic acid
Openeye Name:1-[bis[2-hydroxy-3-(octylamino)propyl]amino]ethanesulfonic acid
CAS Name:1-[bis[2-hydroxy-3-(octylamino)propyl]amino]ethanesulfonic acid
IUPAC Name:1-[bis[2-hydroxy-3-(octylamino)propyl]amino]ethanesulfonic acid
Traditional Name:1-[bis[2-hydroxy-3-(octylamino)propyl]amino]ethanesulfonic acid
Formula: C24H53N3O5S
MolecularWeight: 495.75972
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCC(CN(CC(CNCCCCCCCC)O)C(C)S(=O)(=O)O)O


Isomeric SMILES

CCCCCCCCNCC(CN(CC(CNCCCCCCCC)O)C(C)S(=O)(=O)O)O


InChI

InChI=1S/C24H53N3O5S/c1-4-6-8-10-12-14-16-25-18-23(28)20-27(22(3)33(30,31)32)21-24(29)19-26-17-15-13-11-9-7-5-2/h22-26,28-29H,4-21H2,1-3H3,(H,30,31,32)


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