dodecyl 2-azanylethanoate; 4-methylbenzenesulfonic acid

Systemtic Name: dodecyl 2-azanylethanoate; 4-methylbenzenesulfonic acid Openeye Name: dodecyl 2-aminoacetate; 4-methylbenzenesulfonic acid CAS Name: 2-aminoacetic acid dodecyl ester; 4-methylbenzenesulfonic acid IUPAC Name: dodecyl 2-aminoacetate; 4-methylbenzenesulfonic acid Traditional Name: 2-aminoacetic acid lauryl ester; tosylic acid Formula: C21H37NO5S MolecularWeight: 415.58718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H29NO2.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15;1-6-2-4-7(5-3-6)11(8,9)10/h2-13,15H2,1H3;2-5H,1H3,(H,8,9,10)