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

Systemtic Name: 3-[3,5-bis(hydroxymethyl)-4-oxidanyl-phenyl]propyl 4-methylbenzenesulfonate Openeye Name: 3-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propyl ester IUPAC Name: 3-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(4-hydroxy-3,5-dimethylol-phenyl)propyl ester Formula: C18H22O6S MolecularWeight: 366.42868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC(=C(C(=C2)CO)O)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC(=C(C(=C2)CO)O)CO

InChI

InChI=1S/C18H22O6S/c1-13-4-6-17(7-5-13)25(22,23)24-8-2-3-14-9-15(11-19)18(21)16(10-14)12-20/h4-7,9-10,19-21H,2-3,8,11-12H2,1H3