calcium 2,6-ditert-butyl-4-(1-phosphonatopropyl)phenol

Systemtic Name: calcium 2,6-ditert-butyl-4-(1-phosphonatopropyl)phenol Openeye Name: calcium 2,6-ditert-butyl-4-(1-phosphonatopropyl)phenol CAS Name: calcium 2,6-ditert-butyl-4-(1-phosphonatopropyl)phenol IUPAC Name: calcium 2,6-ditert-butyl-4-(1-phosphonatopropyl)phenol Traditional Name: calcium 2,6-ditert-butyl-4-(1-phosphonatopropyl)phenol Formula: C34H54CaO8P2-2 MolecularWeight: 692.813282

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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)P(=O)([O-])[O-].CCC(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)P(=O)([O-])[O-].[Ca+2]

Isomeric SMILES

CCC(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)P(=O)([O-])[O-].CCC(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)P(=O)([O-])[O-].[Ca+2]

InChI

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