sodium 2,3,4-tritert-butylnaphthalene-1-sulfonate

Systemtic Name: sodium 2,3,4-tritert-butylnaphthalene-1-sulfonate Openeye Name: sodium 2,3,4-tritert-butylnaphthalene-1-sulfonate CAS Name: sodium 2,3,4-tritert-butyl-1-naphthalenesulfonate IUPAC Name: sodium 2,3,4-tritert-butylnaphthalene-1-sulfonate Traditional Name: sodium 2,3,4-tritert-butylnaphthalene-1-sulfonate Formula: C22H31NaO3S MolecularWeight: 398.53451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)[O-])C(C)(C)C)C(C)(C)C.[Na+]

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)[O-])C(C)(C)C)C(C)(C)C.[Na+]

InChI

InChI=1S/C22H32O3S.Na/c1-20(2,3)16-14-12-10-11-13-15(14)19(26(23,24)25)18(22(7,8)9)17(16)21(4,5)6;/h10-13H,1-9H3,(H,23,24,25);/q;+1/p-1