sodium 3-quinolin-8-yloxypropane-1-sulfonate

Systemtic Name: sodium 3-quinolin-8-yloxypropane-1-sulfonate Openeye Name: sodium 3-(8-quinolyloxy)propane-1-sulfonate CAS Name: sodium 3-(8-quinolinyloxy)-1-propanesulfonate IUPAC Name: sodium 3-quinolin-8-yloxypropane-1-sulfonate Traditional Name: sodium 3-(8-quinolyloxy)propane-1-sulfonate Formula: C12H12NNaO4S MolecularWeight: 289.28275

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OCCCS(=O)(=O)[O-])N=CC=C2.[Na+]

Isomeric SMILES

C1=CC2=C(C(=C1)OCCCS(=O)(=O)[O-])N=CC=C2.[Na+]

InChI

InChI=1S/C12H13NO4S.Na/c14-18(15,16)9-3-8-17-11-6-1-4-10-5-2-7-13-12(10)11;/h1-2,4-7H,3,8-9H2,(H,14,15,16);/q;+1/p-1