[(1R,2S)-1,2-dihexadecoxycyclopentyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(1R,2S)-1,2-dihexadecoxycyclopentyl]methyl 4-methylbenzenesulfonate Openeye Name: [(1R,2S)-1,2-dihexadecoxycyclopentyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,2S)-1,2-dihexadecoxycyclopentyl]methyl ester IUPAC Name: [(1R,2S)-1,2-dihexadecoxycyclopentyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,2S)-1,2-dicetyloxycyclopentyl]methyl ester Formula: C45H82O5S MolecularWeight: 735.19458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1CCCC1(COS(=O)(=O)C2=CC=C(C=C2)C)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCO[C@H]1CCC[C@]1(COS(=O)(=O)C2=CC=C(C=C2)C)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C45H82O5S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39-48-44-33-32-38-45(44,41-50-51(46,47)43-36-34-42(3)35-37-43)49-40-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h34-37,44H,4-33,38-41H2,1-3H3/t44-,45+/m0/s1