[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [4-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-phosphono-butyl]phosphonic acid CAS Name: [4-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-1-phosphono-butyl]phosphonic acid Formula: C18H32O7P2S MolecularWeight: 454.455002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32O7P2S/c1-17(2,3)13-10-12(11-14(16(13)19)18(4,5)6)28-9-7-8-15(26(20,21)22)27(23,24)25/h10-11,15,19H,7-9H2,1-6H3,(H2,20,21,22)(H2,23,24,25)