[(3S)-3-oxidanyl-4-phenylmethoxy-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(3S)-3-oxidanyl-4-phenylmethoxy-butyl] 4-methylbenzenesulfonate Openeye Name: [(3S)-4-benzyloxy-3-hydroxy-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S)-3-hydroxy-4-phenylmethoxybutyl] ester IUPAC Name: [(3S)-3-hydroxy-4-phenylmethoxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S)-4-benzoxy-3-hydroxy-butyl] ester Formula: C18H22O5S MolecularWeight: 350.42928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(COCC2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@@H](COCC2=CC=CC=C2)O

InChI

InChI=1S/C18H22O5S/c1-15-7-9-18(10-8-15)24(20,21)23-12-11-17(19)14-22-13-16-5-3-2-4-6-16/h2-10,17,19H,11-14H2,1H3/t17-/m0/s1