[3-(2-methoxyicosoxy)-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(2-methoxyicosoxy)-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [2-hydroxy-3-(2-methoxyicosoxy)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-(2-methoxyeicosoxy)propyl] ester IUPAC Name: [2-hydroxy-3-(2-methoxyicosoxy)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-(2-methoxyeicosoxy)propyl] ester Formula: C31H56O6S MolecularWeight: 556.83774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(COCC(COS(=O)(=O)C1=CC=C(C=C1)C)O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(COCC(COS(=O)(=O)C1=CC=C(C=C1)C)O)OC

InChI

InChI=1S/C31H56O6S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30(35-3)27-36-25-29(32)26-37-38(33,34)31-23-21-28(2)22-24-31/h21-24,29-30,32H,4-20,25-27H2,1-3H3