[8-(oxan-2-yloxy)-2-phenylmethoxy-nonan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [8-(oxan-2-yloxy)-2-phenylmethoxy-nonan-3-yl] 4-methylbenzenesulfonate Openeye Name: [1-(1-benzyloxyethyl)-6-tetrahydropyran-2-yloxy-heptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [8-(2-oxanyloxy)-2-phenylmethoxynonan-3-yl] ester IUPAC Name: [8-(oxan-2-yloxy)-2-phenylmethoxynonan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(1-benzoxyethyl)-6-tetrahydropyran-2-yloxy-heptyl] ester Formula: C28H40O6S MolecularWeight: 504.6786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCC(C)OC2CCCCO2)C(C)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCC(C)OC2CCCCO2)C(C)OCC3=CC=CC=C3

InChI

InChI=1S/C28H40O6S/c1-22-16-18-26(19-17-22)35(29,30)34-27(24(3)32-21-25-12-5-4-6-13-25)14-8-7-11-23(2)33-28-15-9-10-20-31-28/h4-6,12-13,16-19,23-24,27-28H,7-11,14-15,20-21H2,1-3H3