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

Systemtic Name: hexadecyl 5-[[2,5-bis(oxidanyl)phenyl]methylamino]-2-oxidanyl-benzoate Openeye Name: hexadecyl 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-benzoate CAS Name: 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoic acid hexadecyl ester IUPAC Name: hexadecyl 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoate Traditional Name: 5-[(2,5-dihydroxybenzyl)amino]-2-hydroxy-benzoic acid cetyl ester Formula: C30H45NO5 MolecularWeight: 499.682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H45NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-36-30(35)27-22-25(16-18-29(27)34)31-23-24-21-26(32)17-19-28(24)33/h16-19,21-22,31-34H,2-15,20,23H2,1H3