2-acetyloxybenzoate; (5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl)azanium

Systemtic Name: 2-acetyloxybenzoate; (5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl)azanium Openeye Name: 2-acetoxybenzoate; (5-amino-6-hydroxy-6-oxo-hexyl)ammonium CAS Name: 2-acetyloxybenzoate; (5-amino-6-hydroxy-6-oxohexyl)ammonium IUPAC Name: 2-acetyloxybenzoate; (5-amino-6-hydroxy-6-oxohexyl)azanium Traditional Name: 2-acetoxybenzoate; (5-amino-6-hydroxy-6-keto-hexyl)ammonium Formula: C15H22N2O6 MolecularWeight: 326.34498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)[O-].C(CC[NH3+])CC(C(=O)O)N

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)[O-].C(CC[NH3+])CC(C(=O)O)N

InChI

InChI=1S/C9H8O4.C6H14N2O2/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-4-2-1-3-5(8)6(9)10/h2-5H,1H3,(H,11,12);5H,1-4,7-8H2,(H,9,10)