1,4,7,10,13,16-hexaoxacyclononadec-8-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: 1,4,7,10,13,16-hexaoxacyclononadec-8-ylmethyl 4-methylbenzenesulfonate Openeye Name: 1,4,7,10,13,16-hexaoxacyclononadec-8-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1,4,7,10,13,16-hexaoxacyclononadec-8-ylmethyl ester IUPAC Name: 1,4,7,10,13,16-hexaoxacyclononadec-8-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1,4,7,10,13,16-hexaoxacyclononadec-8-ylmethyl ester Formula: C21H34O9S MolecularWeight: 462.55426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COCCOCCOCCCOCCOCCO2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COCCOCCOCCCOCCOCCO2

InChI

InChI=1S/C21H34O9S/c1-19-3-5-21(6-4-19)31(22,23)30-18-20-17-28-14-13-26-11-9-24-7-2-8-25-10-12-27-15-16-29-20/h3-6,20H,2,7-18H2,1H3