(3Z)-1,4,7,7-tetramethyl-2-oxidanylidene-3-(phenylmethylidene)bicyclo[2.2.1]heptane-5-sulfonic acid

Systemtic Name: (3Z)-1,4,7,7-tetramethyl-2-oxidanylidene-3-(phenylmethylidene)bicyclo[2.2.1]heptane-5-sulfonic acid Openeye Name: (6Z)-6-benzylidene-1,4,7,7-tetramethyl-5-oxo-norbornane-2-sulfonic acid CAS Name: (3Z)-1,4,7,7-tetramethyl-2-oxo-3-(phenylmethylene)-5-bicyclo[2.2.1]heptanesulfonic acid IUPAC Name: (3Z)-3-benzylidene-1,4,7,7-tetramethyl-2-oxobicyclo[2.2.1]heptane-5-sulfonic acid Traditional Name: (6Z)-6-benzal-5-keto-1,4,7,7-tetramethyl-norbornane-2-sulfonic acid Formula: C18H22O4S MolecularWeight: 334.42988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CC(C1(C(=CC3=CC=CC=C3)C2=O)C)S(=O)(=O)O)C)C

Isomeric SMILES

CC1(C2(CC(C1(/C(=C/C3=CC=CC=C3)/C2=O)C)S(=O)(=O)O)C)C

InChI

InChI=1S/C18H22O4S/c1-16(2)17(3)11-14(23(20,21)22)18(16,4)13(15(17)19)10-12-8-6-5-7-9-12/h5-10,14H,11H2,1-4H3,(H,20,21,22)/b13-10+