dihexadecyl (2S)-2-azanylpentanedioate; 4-methylbenzenesulfonic acid

Systemtic Name: dihexadecyl (2S)-2-azanylpentanedioate; 4-methylbenzenesulfonic acid Openeye Name: dihexadecyl (2S)-2-aminopentanedioate; 4-methylbenzenesulfonic acid CAS Name: (2S)-2-aminopentanedioic acid dihexadecyl ester; 4-methylbenzenesulfonic acid IUPAC Name: dihexadecyl (2S)-2-aminopentanedioate; 4-methylbenzenesulfonic acid Traditional Name: (2S)-2-aminoglutaric acid dicetyl ester; tosylic acid Formula: C44H81NO7S MolecularWeight: 768.18144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCC(C(=O)OCCCCCCCCCCCCCCCC)N.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CC[C@@H](C(=O)OCCCCCCCCCCCCCCCC)N.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C37H73NO4.C7H8O3S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-41-36(39)32-31-35(38)37(40)42-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-6-2-4-7(5-3-6)11(8,9)10/h35H,3-34,38H2,1-2H3;2-5H,1H3,(H,8,9,10)/t35-;/m0./s1