sodium 2-ethyl-3-methyl-azulene-1-sulfonate

Systemtic Name: sodium 2-ethyl-3-methyl-azulene-1-sulfonate Openeye Name: sodium 2-ethyl-3-methyl-azulene-1-sulfonate CAS Name: sodium 2-ethyl-3-methyl-1-azulenesulfonate IUPAC Name: sodium 2-ethyl-3-methylazulene-1-sulfonate Traditional Name: sodium 2-ethyl-3-methyl-azulene-1-sulfonate Formula: C13H13NaO3S MolecularWeight: 272.29529

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=CC2=C1S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CCC1=C(C2=CC=CC=CC2=C1S(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C13H14O3S.Na/c1-3-10-9(2)11-7-5-4-6-8-12(11)13(10)17(14,15)16;/h4-8H,3H2,1-2H3,(H,14,15,16);/q;+1/p-1