iron(3+); 4,7,7-trimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-2-sulfonate

Systemtic Name: iron(3+); 4,7,7-trimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-2-sulfonate Openeye Name: ferric 4,7,7-trimethyl-3-oxo-norbornane-2-sulfonate CAS Name: iron(3+); 4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanesulfonate IUPAC Name: iron(3+); 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonate Traditional Name: ferric 3-keto-4,7,7-trimethyl-norbornane-2-sulfonate Formula: C30H45FeO12S3 MolecularWeight: 749.7111

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2S(=O)(=O)[O-])C)C.CC1(C2CCC1(C(=O)C2S(=O)(=O)[O-])C)C.CC1(C2CCC1(C(=O)C2S(=O)(=O)[O-])C)C.[Fe+3]

Isomeric SMILES

CC1(C2CCC1(C(=O)C2S(=O)(=O)[O-])C)C.CC1(C2CCC1(C(=O)C2S(=O)(=O)[O-])C)C.CC1(C2CCC1(C(=O)C2S(=O)(=O)[O-])C)C.[Fe+3]

InChI

InChI=1S/3C10H16O4S.Fe/c3*1-9(2)6-4-5-10(9,3)8(11)7(6)15(12,13)14;/h3*6-7H,4-5H2,1-3H3,(H,12,13,14);/q;;;+3/p-3