[5-methyl-2-(oxan-2-yloxy)heptyl] 4-methylbenzenesulfonate

Systemtic Name: [5-methyl-2-(oxan-2-yloxy)heptyl] 4-methylbenzenesulfonate Openeye Name: (5-methyl-2-tetrahydropyran-2-yloxy-heptyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-methyl-2-(2-oxanyloxy)heptyl] ester IUPAC Name: [5-methyl-2-(oxan-2-yloxy)heptyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-methyl-2-tetrahydropyran-2-yloxy-heptyl) ester Formula: C20H32O5S MolecularWeight: 384.53008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32O5S/c1-4-16(2)8-11-18(25-20-7-5-6-14-23-20)15-24-26(21,22)19-12-9-17(3)10-13-19/h9-10,12-13,16,18,20H,4-8,11,14-15H2,1-3H3