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

Systemtic Name: 5-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)sulfanylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid Openeye Name: 5-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)sulfanylnorbornane-2,3-dicarboxylic acid CAS Name: 5-[(3-tert-butyl-4-hydroxy-5-methylphenyl)thio]bicyclo[2.2.1]heptane-2,3-dicarboxylic acid IUPAC Name: 5-(3-tert-butyl-4-hydroxy-5-methylphenyl)sulfanylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid Traditional Name: 5-[(3-tert-butyl-4-hydroxy-5-methyl-phenyl)thio]norbornane-2,3-dicarboxylic acid Formula: C20H26O5S MolecularWeight: 378.48244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C(C)(C)C)SC2CC3CC2C(C3C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1O)C(C)(C)C)SC2CC3CC2C(C3C(=O)O)C(=O)O

InChI

InChI=1S/C20H26O5S/c1-9-5-11(8-13(17(9)21)20(2,3)4)26-14-7-10-6-12(14)16(19(24)25)15(10)18(22)23/h5,8,10,12,14-16,21H,6-7H2,1-4H3,(H,22,23)(H,24,25)