[(3,5-ditert-butyl-4-oxidanyl-phenyl)-diphosphono-methyl]phosphonic acid; sodium

Systemtic Name: [(3,5-ditert-butyl-4-oxidanyl-phenyl)-diphosphono-methyl]phosphonic acid; sodium Openeye Name: [(3,5-ditert-butyl-4-hydroxy-phenyl)-diphosphono-methyl]phosphonic acid; sodium CAS Name: [(3,5-ditert-butyl-4-hydroxyphenyl)-diphosphonomethyl]phosphonic acid; sodium IUPAC Name: [(3,5-ditert-butyl-4-hydroxyphenyl)-diphosphonomethyl]phosphonic acid; sodium Traditional Name: [(3,5-ditert-butyl-4-hydroxy-phenyl)-diphosphono-methyl]phosphonic acid; sodium Formula: C15H27NaO10P3 MolecularWeight: 483.279933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O.[Na]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O.[Na]

InChI

InChI=1S/C15H27O10P3.Na/c1-13(2,3)10-7-9(8-11(12(10)16)14(4,5)6)15(26(17,18)19,27(20,21)22)28(23,24)25;/h7-8,16H,1-6H3,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25);