[(4R)-4-methyl-1-oxidanylidene-octadecan-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [(4R)-4-methyl-1-oxidanylidene-octadecan-6-yl] 4-methylbenzenesulfonate Openeye Name: 1-[(2R)-2-methyl-5-oxo-pentyl]tridecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4R)-4-methyl-1-oxooctadecan-6-yl] ester IUPAC Name: [(4R)-4-methyl-1-oxooctadecan-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-[(2R)-5-keto-2-methyl-pentyl]tridecyl ester Formula: C26H44O4S MolecularWeight: 452.69016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC(C)CCC=O)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCCCC(C[C@H](C)CCC=O)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C26H44O4S/c1-4-5-6-7-8-9-10-11-12-13-16-25(22-24(3)15-14-21-27)30-31(28,29)26-19-17-23(2)18-20-26/h17-21,24-25H,4-16,22H2,1-3H3/t24-,25?/m1/s1