[7-(oxan-2-yl)-2-oxidanyl-heptyl] 4-methylbenzenesulfonate

Systemtic Name: [7-(oxan-2-yl)-2-oxidanyl-heptyl] 4-methylbenzenesulfonate Openeye Name: (2-hydroxy-7-tetrahydropyran-2-yl-heptyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-7-(2-oxanyl)heptyl] ester IUPAC Name: [2-hydroxy-7-(oxan-2-yl)heptyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-hydroxy-7-tetrahydropyran-2-yl-heptyl) ester Formula: C19H30O5S MolecularWeight: 370.5035

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCCCC2CCCCO2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCCCC2CCCCO2)O

InChI

InChI=1S/C19H30O5S/c1-16-10-12-19(13-11-16)25(21,22)24-15-17(20)7-3-2-4-8-18-9-5-6-14-23-18/h10-13,17-18,20H,2-9,14-15H2,1H3