4-azanylnaphthalene-1-sulfonate; dibutyl-(phenylmethyl)-propyl-azanium

Systemtic Name: 4-azanylnaphthalene-1-sulfonate; dibutyl-(phenylmethyl)-propyl-azanium Openeye Name: 4-aminonaphthalene-1-sulfonate; benzyl-dibutyl-propyl-ammonium CAS Name: 4-amino-1-naphthalenesulfonate; dibutyl-(phenylmethyl)-propylammonium IUPAC Name: 4-aminonaphthalene-1-sulfonate; benzyl-dibutyl-propylazanium Traditional Name: benzyl-dibutyl-propyl-ammonium dansate Formula: C28H40N2O3S MolecularWeight: 484.6938

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCC)(CCCC)CC1=CC=CC=C1.C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N

Isomeric SMILES

CCCC[N+](CCC)(CCCC)CC1=CC=CC=C1.C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N

InChI

InChI=1S/C18H32N.C10H9NO3S/c1-4-7-15-19(14-6-3,16-8-5-2)17-18-12-10-9-11-13-18;11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h9-13H,4-8,14-17H2,1-3H3;1-6H,11H2,(H,12,13,14)/q+1;/p-1