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

Systemtic Name: [(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-phosphono-methyl]phosphonic acid Openeye Name: [(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-phosphono-methyl]phosphonic acid CAS Name: [[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-phosphonomethyl]phosphonic acid IUPAC Name: [(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-phosphonomethyl]phosphonic acid Traditional Name: [[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-phosphono-methyl]phosphonic acid Formula: C15H26O7P2S MolecularWeight: 412.375262

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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

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C15H26O7P2S/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)