azanium 2,3-dibutylnaphthalene-1-sulfonate

Systemtic Name: azanium 2,3-dibutylnaphthalene-1-sulfonate Openeye Name: ammonium 2,3-dibutylnaphthalene-1-sulfonate CAS Name: ammonium 2,3-dibutyl-1-naphthalenesulfonate IUPAC Name: azanium 2,3-dibutylnaphthalene-1-sulfonate Traditional Name: ammonium 2,3-dibutylnaphthalene-1-sulfonate Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=C1CCCC)S(=O)(=O)[O-].[NH4+]

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=C1CCCC)S(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C18H24O3S.H3N/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);1H3