2-[3,5-bis(hydroxymethyl)-4-oxidanyl-phenyl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[3,5-bis(hydroxymethyl)-4-oxidanyl-phenyl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl ester IUPAC Name: 2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(4-hydroxy-3,5-dimethylol-phenyl)ethyl ester Formula: C17H20O6S MolecularWeight: 352.4021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC(=C(C(=C2)CO)O)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC(=C(C(=C2)CO)O)CO

InChI

InChI=1S/C17H20O6S/c1-12-2-4-16(5-3-12)24(21,22)23-7-6-13-8-14(10-18)17(20)15(9-13)11-19/h2-5,8-9,18-20H,6-7,10-11H2,1H3