2,3,5-tris(4-bicyclo[2.2.1]heptanyl)-4-methylsulfanyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: 2,3,5-tris(4-bicyclo[2.2.1]heptanyl)-4-methylsulfanyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylate Openeye Name: 4-methylsulfanyl-2,3,5-tri(norbornan-1-yl)-6-oxo-cyclohexa-1,3-diene-1-carboxylate CAS Name: 2,3,5-tris(4-bicyclo[2.2.1]heptanyl)-4-(methylthio)-6-oxo-1-cyclohexa-1,3-dienecarboxylate IUPAC Name: 2,3,5-tris(4-bicyclo[2.2.1]heptanyl)-4-methylsulfanyl-6-oxocyclohexa-1,3-diene-1-carboxylate Traditional Name: 6-keto-4-(methylthio)-2,3,5-tris(1-norbornyl)cyclohexa-1,3-diene-1-carboxylate Formula: C29H37O3S- MolecularWeight: 465.66728

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(C(=O)C1C23CCC(C2)CC3)C(=O)[O-])C45CCC(C4)CC5)C67CCC(C6)CC7

Isomeric SMILES

CSC1=C(C(=C(C(=O)C1C23CCC(C2)CC3)C(=O)[O-])C45CCC(C4)CC5)C67CCC(C6)CC7

InChI

InChI=1S/C29H38O3S/c1-33-25-22(28-10-4-18(15-28)5-11-28)21(27-8-2-17(14-27)3-9-27)20(26(31)32)24(30)23(25)29-12-6-19(16-29)7-13-29/h17-19,23H,2-16H2,1H3,(H,31,32)/p-1