(1,1-dideuterio-3,7,11-trimethyl-dodec-10-enyl) 4-methylbenzenesulfonate

Systemtic Name: (1,1-dideuterio-3,7,11-trimethyl-dodec-10-enyl) 4-methylbenzenesulfonate Openeye Name: (1,1-dideuterio-3,7,11-trimethyl-dodec-10-enyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1,1-dideuterio-3,7,11-trimethyldodec-10-enyl) ester IUPAC Name: (1,1-dideuterio-3,7,11-trimethyldodec-10-enyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1,1-dideuterio-3,7,11-trimethyl-dodec-10-enyl) ester Formula: C22H36O3S MolecularWeight: 382.596764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)CCCC(C)CCC=C(C)C

Isomeric SMILES

[2H]C([2H])(CC(C)CCCC(C)CCC=C(C)C)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C22H36O3S/c1-18(2)8-6-9-19(3)10-7-11-20(4)16-17-25-26(23,24)22-14-12-21(5)13-15-22/h8,12-15,19-20H,6-7,9-11,16-17H2,1-5H3/i17D2