1,4,7,10,13,16,19,22,25-nonaoxacycloheptacos-2-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: 1,4,7,10,13,16,19,22,25-nonaoxacycloheptacos-2-ylmethyl 4-methylbenzenesulfonate Openeye Name: 1,4,7,10,13,16,19,22,25-nonaoxacycloheptacos-2-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1,4,7,10,13,16,19,22,25-nonaoxacycloheptacos-2-ylmethyl ester IUPAC Name: 1,4,7,10,13,16,19,22,25-nonaoxacycloheptacos-2-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1,4,7,10,13,16,19,22,25-nonaoxacycloheptacos-2-ylmethyl ester Formula: C26H44O12S MolecularWeight: 580.68536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COCCOCCOCCOCCOCCOCCOCCOCCO2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COCCOCCOCCOCCOCCOCCOCCOCCO2

InChI

InChI=1S/C26H44O12S/c1-24-2-4-26(5-3-24)39(27,28)38-23-25-22-36-19-18-34-15-14-32-11-10-30-7-6-29-8-9-31-12-13-33-16-17-35-20-21-37-25/h2-5,25H,6-23H2,1H3