sodium 3,7-dimethyl-1,7-bis(oxidanyl)octane-1-sulfonate

Systemtic Name: sodium 3,7-dimethyl-1,7-bis(oxidanyl)octane-1-sulfonate Openeye Name: sodium 1,7-dihydroxy-3,7-dimethyl-octane-1-sulfonate CAS Name: sodium 1,7-dihydroxy-3,7-dimethyl-1-octanesulfonate IUPAC Name: sodium 1,7-dihydroxy-3,7-dimethyloctane-1-sulfonate Traditional Name: sodium 1,7-dihydroxy-3,7-dimethyl-octane-1-sulfonate Formula: C10H21NaO5S MolecularWeight: 276.32551

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)CC(O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(CCCC(C)(C)O)CC(O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H22O5S.Na/c1-8(5-4-6-10(2,3)12)7-9(11)16(13,14)15;/h8-9,11-12H,4-7H2,1-3H3,(H,13,14,15);/q;+1/p-1