phenyl 1-(4-methylphenyl)-2,3-bis(oxidanyl)propane-1-sulfonate

Systemtic Name: phenyl 1-(4-methylphenyl)-2,3-bis(oxidanyl)propane-1-sulfonate Openeye Name: phenyl 2,3-dihydroxy-1-(p-tolyl)propane-1-sulfonate CAS Name: 2,3-dihydroxy-1-(4-methylphenyl)-1-propanesulfonic acid IUPAC Name: phenyl 2,3-dihydroxy-1-(4-methylphenyl)propane-1-sulfonate Traditional Name: 2,3-dihydroxy-1-(p-tolyl)propane-1-sulfonic acid phenyl ester Formula: C16H18O5S MolecularWeight: 322.37612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(CO)O)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(C(CO)O)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C16H18O5S/c1-12-7-9-13(10-8-12)16(15(18)11-17)22(19,20)21-14-5-3-2-4-6-14/h2-10,15-18H,11H2,1H3