2-(1,4,7-trioxa-10-azacyclododec-10-ylcarbonyl)benzoate

Systemtic Name: 2-(1,4,7-trioxa-10-azacyclododec-10-ylcarbonyl)benzoate Openeye Name: 2-(1,4,7-trioxa-10-azacyclododecane-10-carbonyl)benzoate CAS Name: 2-[oxo(1,4,7-trioxa-10-azacyclododec-10-yl)methyl]benzoate IUPAC Name: 2-(1,4,7-trioxa-10-azacyclododecane-10-carbonyl)benzoate Traditional Name: 2-(1,4,7-trioxa-10-azacyclododecane-10-carbonyl)benzoate Formula: C16H20NO6- MolecularWeight: 322.3331

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCCOCCN1C(=O)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C1COCCOCCOCCN1C(=O)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C16H21NO6/c18-15(13-3-1-2-4-14(13)16(19)20)17-5-7-21-9-11-23-12-10-22-8-6-17/h1-4H,5-12H2,(H,19,20)/p-1