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3-[2-azanyl-2-(hydroxymethyl)-3-oxidanyl-propoxy]propyl 4-methylbenzenesulfonate

3-[2-azanyl-2-(hydroxymethyl)-3-oxidanyl-propoxy]propyl 4-methylbenzenesulfonate

Systemtic Name:3-[2-azanyl-2-(hydroxymethyl)-3-oxidanyl-propoxy]propyl 4-methylbenzenesulfonate
Openeye Name:3-[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]propyl 4-methylbenzenesulfonate
CAS Name:4-methylbenzenesulfonic acid 3-[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]propyl ester
IUPAC Name:3-[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]propyl 4-methylbenzenesulfonate
Traditional Name:4-methylbenzenesulfonic acid 3-(2-amino-3-hydroxy-2-methylol-propoxy)propyl ester
Formula: C14H23NO6S
MolecularWeight: 333.40052
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCOCC(CO)(CO)N


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCOCC(CO)(CO)N


InChI

InChI=1S/C14H23NO6S/c1-12-3-5-13(6-4-12)22(18,19)21-8-2-7-20-11-14(15,9-16)10-17/h3-6,16-17H,2,7-11,15H2,1H3


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