dicalcium 2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3,4-diphosphonato-hexan-3-yl]phenol

Systemtic Name: dicalcium 2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3,4-diphosphonato-hexan-3-yl]phenol Openeye Name: dicalcium 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-ethyl-1,2-diphosphonato-butyl]phenol CAS Name: dicalcium 2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-3,4-diphosphonatohexan-3-yl]phenol IUPAC Name: dicalcium 2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-3,4-diphosphonatohexan-3-yl]phenol Traditional Name: dicalcium 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-ethyl-1,2-diphosphonato-butyl]phenol Formula: C34H52Ca2O8P2 MolecularWeight: 730.875402

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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-].[Ca+2].[Ca+2]

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-].[Ca+2].[Ca+2]

InChI

InChI=1S/C34H56O8P2.2Ca/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);;/q;2*+2/p-4