[(1,3-benzothiazol-2-ylamino)-(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]phosphonic acid

Systemtic Name: [(1,3-benzothiazol-2-ylamino)-(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]phosphonic acid Openeye Name: [(1,3-benzothiazol-2-ylamino)-(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]phosphonic acid CAS Name: [(1,3-benzothiazol-2-ylamino)-(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phosphonic acid IUPAC Name: [(1,3-benzothiazol-2-ylamino)-(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phosphonic acid Traditional Name: [(1,3-benzothiazol-2-ylamino)-(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]phosphonic acid Formula: C22H29N2O4PS MolecularWeight: 448.515421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(NC2=NC3=CC=CC=C3S2)P(=O)(O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(NC2=NC3=CC=CC=C3S2)P(=O)(O)O

InChI

InChI=1S/C22H29N2O4PS/c1-21(2,3)14-11-13(12-15(18(14)25)22(4,5)6)19(29(26,27)28)24-20-23-16-9-7-8-10-17(16)30-20/h7-12,19,25H,1-6H3,(H,23,24)(H2,26,27,28)