hexadecyl 2-azanylethanoate; 4-methylbenzenesulfonic acid

Systemtic Name: hexadecyl 2-azanylethanoate; 4-methylbenzenesulfonic acid Openeye Name: hexadecyl 2-aminoacetate; 4-methylbenzenesulfonic acid CAS Name: 2-aminoacetic acid hexadecyl ester; 4-methylbenzenesulfonic acid IUPAC Name: hexadecyl 2-aminoacetate; 4-methylbenzenesulfonic acid Traditional Name: 2-aminoacetic acid cetyl ester; tosylic acid Formula: C25H45NO5S MolecularWeight: 471.6935

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CN.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CN.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C18H37NO2.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-18(20)17-19;1-6-2-4-7(5-3-6)11(8,9)10/h2-17,19H2,1H3;2-5H,1H3,(H,8,9,10)