[4-chloranyl-2-(hydroxymethyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-chloranyl-2-(hydroxymethyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-chloro-2-(hydroxymethyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-chloro-2-(hydroxymethyl)phenyl] ester IUPAC Name: [4-chloro-2-(hydroxymethyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-chloro-2-methylol-phenyl) ester Formula: C14H13ClO4S MolecularWeight: 312.76862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClO4S/c1-10-2-5-13(6-3-10)20(17,18)19-14-7-4-12(15)8-11(14)9-16/h2-8,16H,9H2,1H3