azane; 4-octoxycarbonyl-2-oxidanyl-benzoic acid

Systemtic Name: azane; 4-octoxycarbonyl-2-oxidanyl-benzoic acid Openeye Name: ammonia; 2-hydroxy-4-octoxycarbonyl-benzoic acid CAS Name: ammonia; 2-hydroxy-4-[octoxy(oxo)methyl]benzoic acid IUPAC Name: azane; 2-hydroxy-4-octoxycarbonylbenzoic acid Traditional Name: ammonia; 2-hydroxy-4-octoxycarbonyl-benzoic acid Formula: C16H25NO5 MolecularWeight: 311.3734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)O)O.N

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)O)O.N

InChI

InChI=1S/C16H22O5.H3N/c1-2-3-4-5-6-7-10-21-16(20)12-8-9-13(15(18)19)14(17)11-12;/h8-9,11,17H,2-7,10H2,1H3,(H,18,19);1H3