[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C15H19NO6 MolecularWeight: 309.31446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=C(C(=C2)O)O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=C(C(=C2)O)O)O

InChI

InChI=1S/C15H19NO6/c17-11-7-10(8-12(18)14(11)20)15(21)22-9-13(19)16-5-3-1-2-4-6-16/h7-8,17-18,20H,1-6,9H2