propan-2-yl 3-[3,4-bis(oxidanyl)phenyl]-4-methyl-benzenesulfonate

Systemtic Name: propan-2-yl 3-[3,4-bis(oxidanyl)phenyl]-4-methyl-benzenesulfonate Openeye Name: isopropyl 3-(3,4-dihydroxyphenyl)-4-methyl-benzenesulfonate CAS Name: 3-(3,4-dihydroxyphenyl)-4-methylbenzenesulfonic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(3,4-dihydroxyphenyl)-4-methylbenzenesulfonate Traditional Name: 3-(3,4-dihydroxyphenyl)-4-methyl-benzenesulfonic acid isopropyl ester Formula: C16H18O5S MolecularWeight: 322.37612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC(C)C)C2=CC(=C(C=C2)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC(C)C)C2=CC(=C(C=C2)O)O

InChI

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