[2-[bis(oxidanyl)methyl]-4-methyl-phenyl] 4-chloranylbenzenesulfonate

Systemtic Name: [2-[bis(oxidanyl)methyl]-4-methyl-phenyl] 4-chloranylbenzenesulfonate Openeye Name: [2-(dihydroxymethyl)-4-methyl-phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [2-(dihydroxymethyl)-4-methylphenyl] ester IUPAC Name: [2-(dihydroxymethyl)-4-methylphenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [2-(dihydroxymethyl)-4-methyl-phenyl] ester Formula: C14H13ClO5S MolecularWeight: 328.76802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)Cl)C(O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)Cl)C(O)O

InChI

InChI=1S/C14H13ClO5S/c1-9-2-7-13(12(8-9)14(16)17)20-21(18,19)11-5-3-10(15)4-6-11/h2-8,14,16-17H,1H3