1,4,7,10,13,16-hexaoxacyclononadec-17-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: 1,4,7,10,13,16-hexaoxacyclononadec-17-ylmethyl 4-methylbenzenesulfonate Openeye Name: 1,4,7,10,13,16-hexaoxacyclononadec-17-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1,4,7,10,13,16-hexaoxacyclononadec-17-ylmethyl ester IUPAC Name: 1,4,7,10,13,16-hexaoxacyclononadec-17-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1,4,7,10,13,16-hexaoxacyclononadec-17-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)OCC2CCOCCOCCOCCOCCOCCO2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCOCCOCCOCCOCCOCCO2

InChI

InChI=1S/C21H34O9S/c1-19-2-4-21(5-3-19)31(22,23)30-18-20-6-7-24-8-9-25-10-11-26-12-13-27-14-15-28-16-17-29-20/h2-5,20H,6-18H2,1H3