calcium 2,6-ditert-butyl-4-(phosphonatomethyl)phenol

Systemtic Name: calcium 2,6-ditert-butyl-4-(phosphonatomethyl)phenol Openeye Name: calcium 2,6-ditert-butyl-4-(phosphonatomethyl)phenol CAS Name: calcium 2,6-ditert-butyl-4-(phosphonatomethyl)phenol IUPAC Name: calcium 2,6-ditert-butyl-4-(phosphonatomethyl)phenol Traditional Name: calcium 2,6-ditert-butyl-4-(phosphonatomethyl)phenol Formula: C30H46CaO8P2-2 MolecularWeight: 636.706962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CP(=O)([O-])[O-].CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CP(=O)([O-])[O-].[Ca+2]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CP(=O)([O-])[O-].CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CP(=O)([O-])[O-].[Ca+2]

InChI

InChI=1S/2C15H25O4P.Ca/c2*1-14(2,3)11-7-10(9-20(17,18)19)8-12(13(11)16)15(4,5)6;/h2*7-8,16H,9H2,1-6H3,(H2,17,18,19);/q;;+2/p-4