bis(2-hydroxyethyl)azanium; 2-propan-2-ylnaphthalene-1-sulfonate

Systemtic Name: bis(2-hydroxyethyl)azanium; 2-propan-2-ylnaphthalene-1-sulfonate Openeye Name: bis(2-hydroxyethyl)ammonium; 2-isopropylnaphthalene-1-sulfonate CAS Name: bis(2-hydroxyethyl)ammonium; 2-propan-2-yl-1-naphthalenesulfonate IUPAC Name: bis(2-hydroxyethyl)azanium; 2-propan-2-ylnaphthalene-1-sulfonate Traditional Name: bis(2-hydroxyethyl)ammonium; 2-isopropylnaphthalene-1-sulfonate Formula: C17H25NO5S MolecularWeight: 355.4491

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].C(CO)[NH2+]CCO

Isomeric SMILES

CC(C)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].C(CO)[NH2+]CCO

InChI

InChI=1S/C13H14O3S.C4H11NO2/c1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)17(14,15)16;6-3-1-5-2-4-7/h3-9H,1-2H3,(H,14,15,16);5-7H,1-4H2