1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: 1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethyl 4-methylbenzenesulfonate Openeye Name: 1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethyl ester IUPAC Name: 1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethyl ester Formula: C20H32O9S MolecularWeight: 448.52768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COCCOCCOCCOCCOCCO2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COCCOCCOCCOCCOCCO2

InChI

InChI=1S/C20H32O9S/c1-18-2-4-20(5-3-18)30(21,22)29-17-19-16-27-13-12-25-9-8-23-6-7-24-10-11-26-14-15-28-19/h2-5,19H,6-17H2,1H3