sodium 1-ethoxy-3,3,5,5-tetramethyl-2-phenoxy-hexane-2-sulfonate

Systemtic Name: sodium 1-ethoxy-3,3,5,5-tetramethyl-2-phenoxy-hexane-2-sulfonate Openeye Name: sodium 1-ethoxy-3,3,5,5-tetramethyl-2-phenoxy-hexane-2-sulfonate CAS Name: sodium 1-ethoxy-3,3,5,5-tetramethyl-2-phenoxy-2-hexanesulfonate IUPAC Name: sodium 1-ethoxy-3,3,5,5-tetramethyl-2-phenoxyhexane-2-sulfonate Traditional Name: sodium 1-ethoxy-3,3,5,5-tetramethyl-2-phenoxy-hexane-2-sulfonate Formula: C18H29NaO5S MolecularWeight: 380.47463

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(C(C)(C)CC(C)(C)C)(OC1=CC=CC=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCOCC(C(C)(C)CC(C)(C)C)(OC1=CC=CC=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H30O5S.Na/c1-7-22-14-18(24(19,20)21,17(5,6)13-16(2,3)4)23-15-11-9-8-10-12-15;/h8-12H,7,13-14H2,1-6H3,(H,19,20,21);/q;+1/p-1