[(E,2S,3S)-5-(4-chloranyl-3-methoxy-phenyl)-3-methoxy-2-methyl-pent-4-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E,2S,3S)-5-(4-chloranyl-3-methoxy-phenyl)-3-methoxy-2-methyl-pent-4-enyl] 4-methylbenzenesulfonate Openeye Name: [(E,2S,3S)-5-(4-chloro-3-methoxy-phenyl)-3-methoxy-2-methyl-pent-4-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E,2S,3S)-5-(4-chloro-3-methoxyphenyl)-3-methoxy-2-methylpent-4-enyl] ester IUPAC Name: [(E,2S,3S)-5-(4-chloro-3-methoxyphenyl)-3-methoxy-2-methylpent-4-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E,2S,3S)-5-(4-chloro-3-methoxy-phenyl)-3-methoxy-2-methyl-pent-4-enyl] ester Formula: C21H25ClO5S MolecularWeight: 424.9382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C(C=CC2=CC(=C(C=C2)Cl)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClO5S/c1-15-5-9-18(10-6-15)28(23,24)27-14-16(2)20(25-3)12-8-17-7-11-19(22)21(13-17)26-4/h5-13,16,20H,14H2,1-4H3/b12-8+/t16-,20-/m0/s1