4-[[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-phenylimino-1,3-thiazol-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-phenylimino-1,3-thiazol-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-phenylimino-thiazol-3-yl]methyl]benzoic acid CAS Name: 4-[[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylimino-3-thiazolyl]methyl]benzoic acid IUPAC Name: 4-[[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-phenylimino-4-thiazolin-3-yl]methyl]benzoic acid Formula: C31H34N2O3S MolecularWeight: 514.67826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=NC3=CC=CC=C3)N2CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=NC3=CC=CC=C3)N2CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C31H34N2O3S/c1-30(2,3)24-16-22(17-25(27(24)34)31(4,5)6)26-19-37-29(32-23-10-8-7-9-11-23)33(26)18-20-12-14-21(15-13-20)28(35)36/h7-17,19,34H,18H2,1-6H3,(H,35,36)