[2-[bis(oxidanyl)methyl]phenyl] 4-propan-2-ylbenzenesulfonate

Systemtic Name: [2-[bis(oxidanyl)methyl]phenyl] 4-propan-2-ylbenzenesulfonate Openeye Name: [2-(dihydroxymethyl)phenyl] 4-isopropylbenzenesulfonate CAS Name: 4-propan-2-ylbenzenesulfonic acid [2-(dihydroxymethyl)phenyl] ester IUPAC Name: [2-(dihydroxymethyl)phenyl] 4-propan-2-ylbenzenesulfonate Traditional Name: 4-isopropylbenzenesulfonic acid [2-(dihydroxymethyl)phenyl] ester Formula: C16H18O5S MolecularWeight: 322.37612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O5S/c1-11(2)12-7-9-13(10-8-12)22(19,20)21-15-6-4-3-5-14(15)16(17)18/h3-11,16-18H,1-2H3