sodium 3,6-dibutylnaphthalene-1-sulfonate

Systemtic Name: sodium 3,6-dibutylnaphthalene-1-sulfonate Openeye Name: sodium 3,6-dibutylnaphthalene-1-sulfonate CAS Name: sodium 3,6-dibutyl-1-naphthalenesulfonate IUPAC Name: sodium 3,6-dibutylnaphthalene-1-sulfonate Traditional Name: sodium 3,6-dibutylnaphthalene-1-sulfonate Formula: C18H23NaO3S MolecularWeight: 342.42819

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=CC(=C2C=C1)S(=O)(=O)[O-])CCCC.[Na+]

Isomeric SMILES

CCCCC1=CC2=CC(=CC(=C2C=C1)S(=O)(=O)[O-])CCCC.[Na+]

InChI

InChI=1S/C18H24O3S.Na/c1-3-5-7-14-9-10-17-16(11-14)12-15(8-6-4-2)13-18(17)22(19,20)21;/h9-13H,3-8H2,1-2H3,(H,19,20,21);/q;+1/p-1