[3-(2-hydroxyethyloxy)-2,2-bis(2-hydroxyethyloxymethyl)propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(2-hydroxyethyloxy)-2,2-bis(2-hydroxyethyloxymethyl)propyl] 4-methylbenzenesulfonate Openeye Name: [3-(2-hydroxyethoxy)-2,2-bis(2-hydroxyethoxymethyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(2-hydroxyethoxy)-2,2-bis(2-hydroxyethoxymethyl)propyl] ester IUPAC Name: [3-(2-hydroxyethoxy)-2,2-bis(2-hydroxyethoxymethyl)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(2-hydroxyethoxy)-2,2-bis(2-hydroxyethoxymethyl)propyl] ester Formula: C18H30O9S MolecularWeight: 422.4904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(COCCO)(COCCO)COCCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(COCCO)(COCCO)COCCO

InChI

InChI=1S/C18H30O9S/c1-16-2-4-17(5-3-16)28(22,23)27-15-18(12-24-9-6-19,13-25-10-7-20)14-26-11-8-21/h2-5,19-21H,6-15H2,1H3