[2-[bis(oxidanyl)methyl]phenyl] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [2-[bis(oxidanyl)methyl]phenyl] 2,4,6-trimethylbenzenesulfonate Openeye Name: [2-(dihydroxymethyl)phenyl] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [2-(dihydroxymethyl)phenyl] ester IUPAC Name: [2-(dihydroxymethyl)phenyl] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [2-(dihydroxymethyl)phenyl] ester Formula: C16H18O5S MolecularWeight: 322.37612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC=CC=C2C(O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC=CC=C2C(O)O)C

InChI

InChI=1S/C16H18O5S/c1-10-8-11(2)15(12(3)9-10)22(19,20)21-14-7-5-4-6-13(14)16(17)18/h4-9,16-18H,1-3H3