3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)amino]benzoate; morpholin-4-ium

Systemtic Name: 3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)amino]benzoate; morpholin-4-ium Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-anilino)benzoate; morpholin-4-ium CAS Name: 3-(3,5-ditert-butyl-4-hydroxyanilino)benzoate; morpholin-4-ium IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyanilino)benzoate; morpholin-4-ium Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-anilino)benzoate; morpholin-4-ium Formula: C25H36N2O4 MolecularWeight: 428.56434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC2=CC=CC(=C2)C(=O)[O-].C1COCC[NH2+]1

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC2=CC=CC(=C2)C(=O)[O-].C1COCC[NH2+]1

InChI

InChI=1S/C21H27NO3.C4H9NO/c1-20(2,3)16-11-15(12-17(18(16)23)21(4,5)6)22-14-9-7-8-13(10-14)19(24)25;1-3-6-4-2-5-1/h7-12,22-23H,1-6H3,(H,24,25);5H,1-4H2