sodium 2,7-ditert-butylnaphthalene-1-sulfonate

Systemtic Name: sodium 2,7-ditert-butylnaphthalene-1-sulfonate Openeye Name: sodium 2,7-ditert-butylnaphthalene-1-sulfonate CAS Name: sodium 2,7-ditert-butyl-1-naphthalenesulfonate IUPAC Name: sodium 2,7-ditert-butylnaphthalene-1-sulfonate Traditional Name: sodium 2,7-ditert-butylnaphthalene-1-sulfonate Formula: C18H23NaO3S MolecularWeight: 342.42819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)C=CC(=C2S(=O)(=O)[O-])C(C)(C)C.[Na+]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)C=CC(=C2S(=O)(=O)[O-])C(C)(C)C.[Na+]

InChI

InChI=1S/C18H24O3S.Na/c1-17(2,3)13-9-7-12-8-10-15(18(4,5)6)16(14(12)11-13)22(19,20)21;/h7-11H,1-6H3,(H,19,20,21);/q;+1/p-1