3,3-bis(oxidanyl)propyl 4-methylbenzenesulfonate

Systemtic Name: 3,3-bis(oxidanyl)propyl 4-methylbenzenesulfonate Openeye Name: 3,3-dihydroxypropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3,3-dihydroxypropyl ester IUPAC Name: 3,3-dihydroxypropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3,3-dihydroxypropyl ester Formula: C10H14O5S MolecularWeight: 246.28016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(O)O

InChI

InChI=1S/C10H14O5S/c1-8-2-4-9(5-3-8)16(13,14)15-7-6-10(11)12/h2-5,10-12H,6-7H2,1H3