4-methylbenzenesulfonic acid; octyl 2-azanylethanoate

Systemtic Name: 4-methylbenzenesulfonic acid; octyl 2-azanylethanoate Openeye Name: 4-methylbenzenesulfonic acid; octyl 2-aminoacetate CAS Name: 2-aminoacetic acid octyl ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; octyl 2-aminoacetate Traditional Name: 2-aminoacetic acid octyl ester; tosylic acid Formula: C17H29NO5S MolecularWeight: 359.48086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H21NO2.C7H8O3S/c1-2-3-4-5-6-7-8-13-10(12)9-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-9,11H2,1H3;2-5H,1H3,(H,8,9,10)