sodium 3-ethyl-4-methoxy-azulene-1-sulfonate

Systemtic Name: sodium 3-ethyl-4-methoxy-azulene-1-sulfonate Openeye Name: sodium 3-ethyl-4-methoxy-azulene-1-sulfonate CAS Name: sodium 3-ethyl-4-methoxy-1-azulenesulfonate IUPAC Name: sodium 3-ethyl-4-methoxyazulene-1-sulfonate Traditional Name: sodium 3-ethyl-4-methoxy-azulene-1-sulfonate Formula: C13H13NaO4S MolecularWeight: 288.29469

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=CC=C2OC)C(=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC1=C2C(=CC=CC=C2OC)C(=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H14O4S.Na/c1-3-9-8-12(18(14,15)16)10-6-4-5-7-11(17-2)13(9)10;/h4-8H,3H2,1-2H3,(H,14,15,16);/q;+1/p-1