[3,4-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-phosphono-hexan-3-yl]phosphonic acid

Systemtic Name: [3,4-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-phosphono-hexan-3-yl]phosphonic acid Openeye Name: [1,2-bis(3,5-ditert-butyl-4-hydroxy-phenyl)-1-ethyl-2-phosphono-butyl]phosphonic acid CAS Name: [3,4-bis(3,5-ditert-butyl-4-hydroxyphenyl)-4-phosphonohexan-3-yl]phosphonic acid IUPAC Name: [3,4-bis(3,5-ditert-butyl-4-hydroxyphenyl)-4-phosphonohexan-3-yl]phosphonic acid Traditional Name: [1,2-bis(3,5-ditert-butyl-4-hydroxy-phenyl)-1-ethyl-2-phosphono-butyl]phosphonic acid Formula: C34H56O8P2 MolecularWeight: 654.751162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(C(CC)(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCC(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(C(CC)(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C34H56O8P2/c1-15-33(43(37,38)39,21-17-23(29(3,4)5)27(35)24(18-21)30(6,7)8)34(16-2,44(40,41)42)22-19-25(31(9,10)11)28(36)26(20-22)32(12,13)14/h17-20,35-36H,15-16H2,1-14H3,(H2,37,38,39)(H2,40,41,42)