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2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]butanedioic acid

2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]butanedioic acid

Systemtic Name:2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]butanedioic acid
Openeye Name:2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylsulfanyl]butanedioic acid
CAS Name:2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylthio]butanedioic acid
IUPAC Name:2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]butanedioic acid
Traditional Name:2-[(3,5-ditert-butyl-4-hydroxy-benzyl)thio]succinic acid
Formula: C19H28O5S
MolecularWeight: 368.48762
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CSC(CC(=O)O)C(=O)O


Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CSC(CC(=O)O)C(=O)O


InChI

InChI=1S/C19H28O5S/c1-18(2,3)12-7-11(8-13(16(12)22)19(4,5)6)10-25-14(17(23)24)9-15(20)21/h7-8,14,22H,9-10H2,1-6H3,(H,20,21)(H,23,24)


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