sodium 1-(2-methylbutan-2-yl)azulene sulfate

Systemtic Name: sodium 1-(2-methylbutan-2-yl)azulene sulfate Openeye Name: sodium 1-(1,1-dimethylpropyl)azulene sulfate CAS Name: sodium 1-(2-methylbutan-2-yl)azulene sulfate IUPAC Name: sodium 1-(2-methylbutan-2-yl)azulene sulfate Traditional Name: sodium 1-tert-amylazulene sulfate Formula: C15H18NaO4S- MolecularWeight: 317.35579

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18.Na.H2O4S/c1-4-15(2,3)14-11-10-12-8-6-5-7-9-13(12)14;;1-5(2,3)4/h5-11H,4H2,1-3H3;;(H2,1,2,3,4)/q;+1;/p-2