hexyl 5-azanyl-4-oxidanylidene-pentanoate; 4-methylbenzenesulfonic acid

Systemtic Name: hexyl 5-azanyl-4-oxidanylidene-pentanoate; 4-methylbenzenesulfonic acid Openeye Name: hexyl 5-amino-4-oxo-pentanoate; 4-methylbenzenesulfonic acid CAS Name: 5-amino-4-oxopentanoic acid hexyl ester; 4-methylbenzenesulfonic acid IUPAC Name: hexyl 5-amino-4-oxopentanoate; 4-methylbenzenesulfonic acid Traditional Name: 5-amino-4-keto-valeric acid hexyl ester; tosylic acid Formula: C18H29NO6S MolecularWeight: 387.49096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCC(=O)CN.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCOC(=O)CCC(=O)CN.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C11H21NO3.C7H8O3S/c1-2-3-4-5-8-15-11(14)7-6-10(13)9-12;1-6-2-4-7(5-3-6)11(8,9)10/h2-9,12H2,1H3;2-5H,1H3,(H,8,9,10)