3,5,5-trimethylhexyl 5-[[2,5-bis(oxidanyl)phenyl]methylamino]-2-oxidanyl-benzoate

Systemtic Name: 3,5,5-trimethylhexyl 5-[[2,5-bis(oxidanyl)phenyl]methylamino]-2-oxidanyl-benzoate Openeye Name: 3,5,5-trimethylhexyl 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-benzoate CAS Name: 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoic acid 3,5,5-trimethylhexyl ester IUPAC Name: 3,5,5-trimethylhexyl 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoate Traditional Name: 5-[(2,5-dihydroxybenzyl)amino]-2-hydroxy-benzoic acid 3,5,5-trimethylhexyl ester Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)C1=C(C=CC(=C1)NCC2=C(C=CC(=C2)O)O)O)CC(C)(C)C

Isomeric SMILES

CC(CCOC(=O)C1=C(C=CC(=C1)NCC2=C(C=CC(=C2)O)O)O)CC(C)(C)C

InChI

InChI=1S/C23H31NO5/c1-15(13-23(2,3)4)9-10-29-22(28)19-12-17(5-7-21(19)27)24-14-16-11-18(25)6-8-20(16)26/h5-8,11-12,15,24-27H,9-10,13-14H2,1-4H3