sodium 8-(2,4,4-trimethylpentan-2-yl)naphthalene-2-sulfinate

Systemtic Name: sodium 8-(2,4,4-trimethylpentan-2-yl)naphthalene-2-sulfinate Openeye Name: sodium 8-(1,1,3,3-tetramethylbutyl)naphthalene-2-sulfinate CAS Name: sodium 8-(2,4,4-trimethylpentan-2-yl)-2-naphthalenesulfinate IUPAC Name: sodium 8-(2,4,4-trimethylpentan-2-yl)naphthalene-2-sulfinate Traditional Name: sodium 8-(1,1,3,3-tetramethylbutyl)naphthalene-2-sulfinate Formula: C18H23NaO2S MolecularWeight: 326.42879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=CC2=C1C=C(C=C2)S(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=CC2=C1C=C(C=C2)S(=O)[O-].[Na+]

InChI

InChI=1S/C18H24O2S.Na/c1-17(2,3)12-18(4,5)16-8-6-7-13-9-10-14(21(19)20)11-15(13)16;/h6-11H,12H2,1-5H3,(H,19,20);/q;+1/p-1