sodium 2-cyclohexa-1,3-dien-1-ylbenzene-5-ide-1-sulfonic acid

Systemtic Name: sodium 2-cyclohexa-1,3-dien-1-ylbenzene-5-ide-1-sulfonic acid Openeye Name: sodium 2-cyclohexa-1,3-dien-1-ylbenzene-5-ide-1-sulfonic acid CAS Name: sodium 2-(1-cyclohexa-1,3-dienyl)-1-benzene-5-idesulfonic acid IUPAC Name: sodium 2-cyclohexa-1,3-dien-1-ylbenzene-5-ide-1-sulfonic acid Traditional Name: sodium 2-cyclohexa-1,3-dien-1-ylbenzene-5-ide-1-sulfonic acid Formula: C12H11NaO3S MolecularWeight: 258.26871

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC=C1)C2=CC=[C-]C=C2S(=O)(=O)O.[Na+]

Isomeric SMILES

C1CC(=CC=C1)C2=CC=[C-]C=C2S(=O)(=O)O.[Na+]

InChI

InChI=1S/C12H11O3S.Na/c13-16(14,15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-2,4,6,8-9H,3,7H2,(H,13,14,15);/q-1;+1