[(3E)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-phosphono-buta-1,3-dienyl]phosphonic acid

Systemtic Name: [(3E)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-phosphono-buta-1,3-dienyl]phosphonic acid Openeye Name: [(3E)-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-phosphono-buta-1,3-dienyl]phosphonic acid CAS Name: [(3E)-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-phosphonobuta-1,3-dienyl]phosphonic acid IUPAC Name: [(3E)-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-phosphonobuta-1,3-dienyl]phosphonic acid Traditional Name: [(3E)-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-phosphono-buta-1,3-dienyl]phosphonic acid Formula: C18H28O7P2 MolecularWeight: 418.358242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=CC=C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/C=C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C18H28O7P2/c1-17(2,3)13-10-12(11-14(16(13)19)18(4,5)6)8-7-9-15(26(20,21)22)27(23,24)25/h7-11,19H,1-6H3,(H2,20,21,22)(H2,23,24,25)/b8-7+