16-(2-octoxy-3-phenylmethoxy-propoxy)hexadecyl 4-methylbenzenesulfonate

Systemtic Name: 16-(2-octoxy-3-phenylmethoxy-propoxy)hexadecyl 4-methylbenzenesulfonate Openeye Name: 16-(3-benzyloxy-2-octoxy-propoxy)hexadecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 16-(2-octoxy-3-phenylmethoxypropoxy)hexadecyl ester IUPAC Name: 16-(2-octoxy-3-phenylmethoxypropoxy)hexadecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 16-(3-benzoxy-2-octoxy-propoxy)hexadecyl ester Formula: C41H68O6S MolecularWeight: 689.04002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(COCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C)COCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCOC(COCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C)COCC2=CC=CC=C2

InChI

InChI=1S/C41H68O6S/c1-3-4-5-6-18-24-33-46-40(37-45-35-39-26-21-20-22-27-39)36-44-32-23-17-15-13-11-9-7-8-10-12-14-16-19-25-34-47-48(42,43)41-30-28-38(2)29-31-41/h20-22,26-31,40H,3-19,23-25,32-37H2,1-2H3