disodium [(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-phosphonato-methyl]phosphonic acid

Systemtic Name: disodium [(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-phosphonato-methyl]phosphonic acid Openeye Name: disodium [(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-phosphonato-methyl]phosphonic acid CAS Name: disodium [[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-phosphonatomethyl]phosphonic acid IUPAC Name: disodium [(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-phosphonatomethyl]phosphonic acid Traditional Name: disodium [[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-phosphonato-methyl]phosphonic acid Formula: C15H24Na2O7P2S MolecularWeight: 456.338922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26O7P2S.2Na/c1-14(2,3)10-7-9(8-11(12(10)16)15(4,5)6)25-13(23(17,18)19)24(20,21)22;;/h7-8,13,16H,1-6H3,(H2,17,18,19)(H2,20,21,22);;/q;2*+1/p-2