azanium 2,3-dipentylnaphthalene-1-sulfonate

Systemtic Name: azanium 2,3-dipentylnaphthalene-1-sulfonate Openeye Name: ammonium 2,3-dipentylnaphthalene-1-sulfonate CAS Name: ammonium 2,3-dipentyl-1-naphthalenesulfonate IUPAC Name: azanium 2,3-dipentylnaphthalene-1-sulfonate Traditional Name: ammonium 2,3-diamylnaphthalene-1-sulfonate Formula: C20H31NO3S MolecularWeight: 365.53004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=CC=CC=C2C(=C1CCCCC)S(=O)(=O)[O-].[NH4+]

Isomeric SMILES

CCCCCC1=CC2=CC=CC=C2C(=C1CCCCC)S(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C20H28O3S.H3N/c1-3-5-7-11-16-15-17-12-9-10-14-19(17)20(24(21,22)23)18(16)13-8-6-4-2;/h9-10,12,14-15H,3-8,11,13H2,1-2H3,(H,21,22,23);1H3