1,4,7,10,13,16,19-heptaoxacyclohenicos-2-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: 1,4,7,10,13,16,19-heptaoxacyclohenicos-2-ylmethyl 4-methylbenzenesulfonate Openeye Name: 1,4,7,10,13,16,19-heptaoxacyclohenicos-2-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1,4,7,10,13,16,19-heptaoxacycloheneicos-2-ylmethyl ester IUPAC Name: 1,4,7,10,13,16,19-heptaoxacyclohenicos-2-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1,4,7,10,13,16,19-heptaoxacycloheneicos-2-ylmethyl ester Formula: C22H36O10S MolecularWeight: 492.58024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COCCOCCOCCOCCOCCOCCO2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COCCOCCOCCOCCOCCOCCO2

InChI

InChI=1S/C22H36O10S/c1-20-2-4-22(5-3-20)33(23,24)32-19-21-18-30-15-14-28-11-10-26-7-6-25-8-9-27-12-13-29-16-17-31-21/h2-5,21H,6-19H2,1H3