dicalcium 2,6-ditert-butyl-3-ethyl-4-(phosphonatomethyl)phenol

Systemtic Name: dicalcium 2,6-ditert-butyl-3-ethyl-4-(phosphonatomethyl)phenol Openeye Name: dicalcium 2,6-ditert-butyl-3-ethyl-4-(phosphonatomethyl)phenol CAS Name: dicalcium 2,6-ditert-butyl-3-ethyl-4-(phosphonatomethyl)phenol IUPAC Name: dicalcium 2,6-ditert-butyl-3-ethyl-4-(phosphonatomethyl)phenol Traditional Name: dicalcium 2,6-ditert-butyl-3-ethyl-4-(phosphonatomethyl)phenol Formula: C34H54Ca2O8P2 MolecularWeight: 732.891282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.CCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.[Ca+2].[Ca+2]

Isomeric SMILES

CCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.CCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.[Ca+2].[Ca+2]

InChI

InChI=1S/2C17H29O4P.2Ca/c2*1-8-12-11(10-22(19,20)21)9-13(16(2,3)4)15(18)14(12)17(5,6)7;;/h2*9,18H,8,10H2,1-7H3,(H2,19,20,21);;/q;;2*+2/p-4