4-methylbenzenesulfonate; 3-octadecyl-2-phenyl-1,3-oxazol-3-ium

Systemtic Name: 4-methylbenzenesulfonate; 3-octadecyl-2-phenyl-1,3-oxazol-3-ium Openeye Name: 4-methylbenzenesulfonate; 3-octadecyl-2-phenyl-oxazol-3-ium CAS Name: 4-methylbenzenesulfonate; 3-octadecyl-2-phenyloxazol-3-ium IUPAC Name: 4-methylbenzenesulfonate; 3-octadecyl-2-phenyl-1,3-oxazol-3-ium Traditional Name: 2-phenyl-3-stearyl-oxazol-3-ium tosylate Formula: C34H51NO4S MolecularWeight: 569.83804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=C(OC=C1)C2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=C(OC=C1)C2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C27H44NO.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28-24-25-29-27(28)26-21-18-17-19-22-26;1-6-2-4-7(5-3-6)11(8,9)10/h17-19,21-22,24-25H,2-16,20,23H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1