[2-(3-methylphenyl)-2-oxidanyl-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(3-methylphenyl)-2-oxidanyl-ethyl] 4-methylbenzenesulfonate Openeye Name: [2-hydroxy-2-(m-tolyl)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-2-(3-methylphenyl)ethyl] ester IUPAC Name: [2-hydroxy-2-(3-methylphenyl)ethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-2-(m-tolyl)ethyl] ester Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O4S/c1-12-6-8-15(9-7-12)21(18,19)20-11-16(17)14-5-3-4-13(2)10-14/h3-10,16-17H,11H2,1-2H3