[4-(2-hydroxyphenyl)-2-oxidanyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-hydroxyphenyl)-2-oxidanyl-butyl] 4-methylbenzenesulfonate Openeye Name: [2-hydroxy-4-(2-hydroxyphenyl)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-4-(2-hydroxyphenyl)butyl] ester IUPAC Name: [2-hydroxy-4-(2-hydroxyphenyl)butyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-4-(2-hydroxyphenyl)butyl] ester Formula: C17H20O5S MolecularWeight: 336.4027

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCC2=CC=CC=C2O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCC2=CC=CC=C2O)O

InChI

InChI=1S/C17H20O5S/c1-13-6-10-16(11-7-13)23(20,21)22-12-15(18)9-8-14-4-2-3-5-17(14)19/h2-7,10-11,15,18-19H,8-9,12H2,1H3