sodium 2,3,4-tris(2-methylpropyl)naphthalene-1-sulfonate

Systemtic Name: sodium 2,3,4-tris(2-methylpropyl)naphthalene-1-sulfonate Openeye Name: sodium 2,3,4-triisobutylnaphthalene-1-sulfonate CAS Name: sodium 2,3,4-tris(2-methylpropyl)-1-naphthalenesulfonate IUPAC Name: sodium 2,3,4-tris(2-methylpropyl)naphthalene-1-sulfonate Traditional Name: sodium 2,3,4-triisobutylnaphthalene-1-sulfonate Formula: C22H31NaO3S MolecularWeight: 398.53451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)[O-])CC(C)C)CC(C)C.[Na+]

Isomeric SMILES

CC(C)CC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)[O-])CC(C)C)CC(C)C.[Na+]

InChI

InChI=1S/C22H32O3S.Na/c1-14(2)11-19-17-9-7-8-10-18(17)22(26(23,24)25)21(13-16(5)6)20(19)12-15(3)4;/h7-10,14-16H,11-13H2,1-6H3,(H,23,24,25);/q;+1/p-1