sodium 3-ethylazulene-1-sulfonate

Systemtic Name: sodium 3-ethylazulene-1-sulfonate Openeye Name: sodium 3-ethylazulene-1-sulfonate CAS Name: sodium 3-ethyl-1-azulenesulfonate IUPAC Name: sodium 3-ethylazulene-1-sulfonate Traditional Name: sodium 3-ethylazulene-1-sulfonate Formula: C12H11NaO3S MolecularWeight: 258.26871

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C1=CC=CC=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC1=CC(=C2C1=CC=CC=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H12O3S.Na/c1-2-9-8-12(16(13,14)15)11-7-5-3-4-6-10(9)11;/h3-8H,2H2,1H3,(H,13,14,15);/q;+1/p-1