5-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid

Systemtic Name: 5-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid Openeye Name: 5-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylnorbornane-2,3-dicarboxylic acid CAS Name: 5-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]bicyclo[2.2.1]heptane-2,3-dicarboxylic acid IUPAC Name: 5-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid Traditional Name: 5-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]norbornane-2,3-dicarboxylic acid Formula: C23H32O5S MolecularWeight: 420.56218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2CC3CC2C(C3C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2CC3CC2C(C3C(=O)O)C(=O)O

InChI

InChI=1S/C23H32O5S/c1-22(2,3)14-9-12(10-15(19(14)24)23(4,5)6)29-16-8-11-7-13(16)18(21(27)28)17(11)20(25)26/h9-11,13,16-18,24H,7-8H2,1-6H3,(H,25,26)(H,27,28)