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

Systemtic Name: [3-oxidanyl-2-(2-oxidanyl-3-phosphonooxy-propoxy)propyl] 4-methylbenzenesulfonate Openeye Name: [3-hydroxy-2-(2-hydroxy-3-phosphonooxy-propoxy)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-hydroxy-2-(2-hydroxy-3-phosphonooxypropoxy)propyl] ester IUPAC Name: [3-hydroxy-2-(2-hydroxy-3-phosphonooxypropoxy)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-hydroxy-2-(2-hydroxy-3-phosphonooxy-propoxy)propyl] ester Formula: C13H21O10PS MolecularWeight: 400.338601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CO)OCC(COP(=O)(O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CO)OCC(COP(=O)(O)O)O

InChI

InChI=1S/C13H21O10PS/c1-10-2-4-13(5-3-10)25(19,20)23-9-12(6-14)21-7-11(15)8-22-24(16,17)18/h2-5,11-12,14-15H,6-9H2,1H3,(H2,16,17,18)