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

Systemtic Name: [(2S,3S)-2-methyl-3-(oxan-2-yloxy)heptyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3S)-2-methyl-3-tetrahydropyran-2-yloxy-heptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-2-methyl-3-(2-oxanyloxy)heptyl] ester IUPAC Name: [(2S,3S)-2-methyl-3-(oxan-2-yloxy)heptyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S)-2-methyl-3-tetrahydropyran-2-yloxy-heptyl] ester Formula: C20H32O5S MolecularWeight: 384.53008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32O5S/c1-4-5-8-19(25-20-9-6-7-14-23-20)17(3)15-24-26(21,22)18-12-10-16(2)11-13-18/h10-13,17,19-20H,4-9,14-15H2,1-3H3/t17-,19-,20?/m0/s1