[(2S,3S)-2-methyl-3-(oxan-2-yloxy)hexyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-2-methyl-3-(oxan-2-yloxy)hexyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3S)-2-methyl-3-tetrahydropyran-2-yloxy-hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-2-methyl-3-(2-oxanyloxy)hexyl] ester IUPAC Name: [(2S,3S)-2-methyl-3-(oxan-2-yloxy)hexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S)-2-methyl-3-tetrahydropyran-2-yloxy-hexyl] ester Formula: C19H30O5S MolecularWeight: 370.5035

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)COS(=O)(=O)C1=CC=C(C=C1)C)OC2CCCCO2

Isomeric SMILES

CCC[C@@H]([C@@H](C)COS(=O)(=O)C1=CC=C(C=C1)C)OC2CCCCO2

InChI

InChI=1S/C19H30O5S/c1-4-7-18(24-19-8-5-6-13-22-19)16(3)14-23-25(20,21)17-11-9-15(2)10-12-17/h9-12,16,18-19H,4-8,13-14H2,1-3H3/t16-,18-,19?/m0/s1