[(E)-2-oxidanyl-1-[4-(4-phenoxybutoxy)phenyl]pent-3-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-2-oxidanyl-1-[4-(4-phenoxybutoxy)phenyl]pent-3-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-2-hydroxy-1-[4-(4-phenoxybutoxy)phenyl]pent-3-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-2-hydroxy-1-[4-(4-phenoxybutoxy)phenyl]pent-3-enyl] ester IUPAC Name: [(E)-2-hydroxy-1-[4-(4-phenoxybutoxy)phenyl]pent-3-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-2-hydroxy-1-[4-(4-phenoxybutoxy)phenyl]pent-3-enyl] ester Formula: C28H32O6S MolecularWeight: 496.61508

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C(C1=CC=C(C=C1)OCCCCOC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C)O

Isomeric SMILES

C/C=C/C(C(C1=CC=C(C=C1)OCCCCOC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C)O

InChI

InChI=1S/C28H32O6S/c1-3-9-27(29)28(34-35(30,31)26-18-12-22(2)13-19-26)23-14-16-25(17-15-23)33-21-8-7-20-32-24-10-5-4-6-11-24/h3-6,9-19,27-29H,7-8,20-21H2,1-2H3/b9-3+