sodium 2,6-ditert-butylnaphthalene-1-sulfonic acid

Systemtic Name: sodium 2,6-ditert-butylnaphthalene-1-sulfonic acid Openeye Name: sodium 2,6-ditert-butylnaphthalene-1-sulfonic acid CAS Name: sodium 2,6-ditert-butyl-1-naphthalenesulfonic acid IUPAC Name: sodium 2,6-ditert-butylnaphthalene-1-sulfonic acid Traditional Name: sodium 2,6-ditert-butylnaphthalene-1-sulfonic acid Formula: C18H24NaO3S+ MolecularWeight: 343.43613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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