[(2S,4S)-2-oxidanyl-4-phenylmethoxy-hept-6-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,4S)-2-oxidanyl-4-phenylmethoxy-hept-6-enyl] 4-methylbenzenesulfonate Openeye Name: [(2S,4S)-4-benzyloxy-2-hydroxy-hept-6-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,4S)-2-hydroxy-4-phenylmethoxyhept-6-enyl] ester IUPAC Name: [(2S,4S)-2-hydroxy-4-phenylmethoxyhept-6-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,4S)-4-benzoxy-2-hydroxy-hept-6-enyl] ester Formula: C21H26O5S MolecularWeight: 390.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC(CC=C)OCC2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C[C@H](CC=C)OCC2=CC=CC=C2)O

InChI

InChI=1S/C21H26O5S/c1-3-7-20(25-15-18-8-5-4-6-9-18)14-19(22)16-26-27(23,24)21-12-10-17(2)11-13-21/h3-6,8-13,19-20,22H,1,7,14-16H2,2H3/t19-,20-/m0/s1