[(E,2S)-2-oxidanyl-4-(phenylmethoxymethyl)hex-3-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E,2S)-2-oxidanyl-4-(phenylmethoxymethyl)hex-3-enyl] 4-methylbenzenesulfonate Openeye Name: [(E,2S)-4-(benzyloxymethyl)-2-hydroxy-hex-3-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E,2S)-2-hydroxy-4-(phenylmethoxymethyl)hex-3-enyl] ester IUPAC Name: [(E,2S)-2-hydroxy-4-(phenylmethoxymethyl)hex-3-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E,2S)-4-(benzoxymethyl)-2-hydroxy-hex-3-enyl] ester Formula: C21H26O5S MolecularWeight: 390.49314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC(COS(=O)(=O)C1=CC=C(C=C1)C)O)COCC2=CC=CC=C2

Isomeric SMILES

CC/C(=C\[C@@H](COS(=O)(=O)C1=CC=C(C=C1)C)O)/COCC2=CC=CC=C2

InChI

InChI=1S/C21H26O5S/c1-3-18(14-25-15-19-7-5-4-6-8-19)13-20(22)16-26-27(23,24)21-11-9-17(2)10-12-21/h4-13,20,22H,3,14-16H2,1-2H3/b18-13+/t20-/m0/s1