sodium 2,3-dibutylnaphthalene-1-sulfonic acid

Systemtic Name: sodium 2,3-dibutylnaphthalene-1-sulfonic acid Openeye Name: sodium 2,3-dibutylnaphthalene-1-sulfonic acid CAS Name: sodium 2,3-dibutyl-1-naphthalenesulfonic acid IUPAC Name: sodium 2,3-dibutylnaphthalene-1-sulfonic acid Traditional Name: sodium 2,3-dibutylnaphthalene-1-sulfonic acid Formula: C18H24NaO3S+ MolecularWeight: 343.43613

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=C1CCCC)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=C1CCCC)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C18H24O3S.Na/c1-3-5-9-14-13-15-10-7-8-12-17(15)18(22(19,20)21)16(14)11-6-4-2;/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,20,21);/q;+1