sodium; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methyl sulfate; dodecan-1-ol

Systemtic Name: sodium; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methyl sulfate; dodecan-1-ol Openeye Name: sodium; (7,7-dimethyl-2-oxo-norbornan-1-yl)methyl sulfate; dodecan-1-ol CAS Name: sodium; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methyl sulfate; 1-dodecanol IUPAC Name: sodium; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methyl sulfate; dodecan-1-ol Traditional Name: sodium; dodecan-1-ol; (2-keto-7,7-dimethyl-norbornan-1-yl)methyl sulfate Formula: C22H41NaO6S MolecularWeight: 456.61211

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCO.CC1(C2CCC1(C(=O)C2)COS(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CCCCCCCCCCCCO.CC1(C2CCC1(C(=O)C2)COS(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C12H26O.C10H16O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-9(2)7-3-4-10(9,8(11)5-7)6-15-16(12,13)14;/h13H,2-12H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14);/q;;+1/p-1