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

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

Systemtic Name:3-[2-(hydroxymethyl)-3-oxidanyl-2-(prop-2-enoylamino)propoxy]propyl 4-methylbenzenesulfonate
Openeye Name:3-[3-hydroxy-2-(hydroxymethyl)-2-(prop-2-enoylamino)propoxy]propyl 4-methylbenzenesulfonate
CAS Name:4-methylbenzenesulfonic acid 3-[3-hydroxy-2-(hydroxymethyl)-2-(1-oxoprop-2-enylamino)propoxy]propyl ester
IUPAC Name:3-[3-hydroxy-2-(hydroxymethyl)-2-(prop-2-enoylamino)propoxy]propyl 4-methylbenzenesulfonate
Traditional Name:4-methylbenzenesulfonic acid 3-(2-acrylamido-3-hydroxy-2-methylol-propoxy)propyl ester
Formula: C17H25NO7S
MolecularWeight: 387.4479
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H25NO7S/c1-3-16(21)18-17(11-19,12-20)13-24-9-4-10-25-26(22,23)15-7-5-14(2)6-8-15/h3,5-8,19-20H,1,4,9-13H2,2H3,(H,18,21)


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