2-[(4-cyanophenyl)methyl]-4,7,7-trimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-2-sulfonate

Systemtic Name: 2-[(4-cyanophenyl)methyl]-4,7,7-trimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-2-sulfonate Openeye Name: 2-[(4-cyanophenyl)methyl]-4,7,7-trimethyl-3-oxo-norbornane-2-sulfonate CAS Name: 2-[(4-cyanophenyl)methyl]-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanesulfonate IUPAC Name: 2-[(4-cyanophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonate Traditional Name: 2-(4-cyanobenzyl)-3-keto-4,7,7-trimethyl-norbornane-2-sulfonate Formula: C18H20NO4S- MolecularWeight: 346.4207

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2(CC3=CC=C(C=C3)C#N)S(=O)(=O)[O-])C)C

Isomeric SMILES

CC1(C2CCC1(C(=O)C2(CC3=CC=C(C=C3)C#N)S(=O)(=O)[O-])C)C

InChI

InChI=1S/C18H21NO4S/c1-16(2)14-8-9-17(16,3)15(20)18(14,24(21,22)23)10-12-4-6-13(11-19)7-5-12/h4-7,14H,8-10H2,1-3H3,(H,21,22,23)/p-1