aluminum (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate

Systemtic Name: aluminum (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate Openeye Name: aluminum (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonate CAS Name: aluminum (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate IUPAC Name: aluminum (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate Traditional Name: aluminum (2-keto-7,7-dimethyl-norbornan-1-yl)methanesulfonate Formula: C30H45AlO12S3 MolecularWeight: 720.847638

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.[Al+3]

Isomeric SMILES

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.[Al+3]

InChI

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