sodium 3-naphthalen-1-ylpropane-1-sulfonic acid

Systemtic Name: sodium 3-naphthalen-1-ylpropane-1-sulfonic acid Openeye Name: sodium 3-(1-naphthyl)propane-1-sulfonic acid CAS Name: sodium 3-(1-naphthalenyl)-1-propanesulfonic acid IUPAC Name: sodium 3-naphthalen-1-ylpropane-1-sulfonic acid Traditional Name: sodium 3-(1-naphthyl)propane-1-sulfonic acid Formula: C13H14NaO3S+ MolecularWeight: 273.30323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CCCS(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CCCS(=O)(=O)O.[Na+]

InChI

InChI=1S/C13H14O3S.Na/c14-17(15,16)10-4-8-12-7-3-6-11-5-1-2-9-13(11)12;/h1-3,5-7,9H,4,8,10H2,(H,14,15,16);/q;+1