3,7-dimethyl-1-oxidanylidene-octane-3,6-disulfonic acid

Systemtic Name: 3,7-dimethyl-1-oxidanylidene-octane-3,6-disulfonic acid Openeye Name: 3,7-dimethyl-1-oxo-octane-3,6-disulfonic acid CAS Name: 3,7-dimethyl-1-oxooctane-3,6-disulfonic acid IUPAC Name: 3,7-dimethyl-1-oxooctane-3,6-disulfonic acid Traditional Name: 1-keto-3,7-dimethyl-octane-3,6-disulfonic acid Formula: C10H20O7S2 MolecularWeight: 316.3916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(C)(CC=O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)C(CCC(C)(CC=O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H20O7S2/c1-8(2)9(18(12,13)14)4-5-10(3,6-7-11)19(15,16)17/h7-9H,4-6H2,1-3H3,(H,12,13,14)(H,15,16,17)