sodium 3-cyclohexa-1,3-dien-1-yloxypropane-1-sulfonic acid

Systemtic Name: sodium 3-cyclohexa-1,3-dien-1-yloxypropane-1-sulfonic acid Openeye Name: sodium 3-cyclohexa-1,3-dien-1-yloxypropane-1-sulfonic acid CAS Name: sodium 3-(1-cyclohexa-1,3-dienyloxy)-1-propanesulfonic acid IUPAC Name: sodium 3-cyclohexa-1,3-dien-1-yloxypropane-1-sulfonic acid Traditional Name: sodium 3-cyclohexa-1,3-dien-1-yloxypropane-1-sulfonic acid Formula: C9H13NaO4S MolecularWeight: 240.25189

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC=C1)OCC[CH-]S(=O)(=O)O.[Na+]

Isomeric SMILES

C1CC(=CC=C1)OCC[CH-]S(=O)(=O)O.[Na+]

InChI

InChI=1S/C9H13O4S.Na/c10-14(11,12)8-4-7-13-9-5-2-1-3-6-9;/h1-2,5,8H,3-4,6-7H2,(H,10,11,12);/q-1;+1