sodium 3-propylazulene-1-sulfonate

Systemtic Name: sodium 3-propylazulene-1-sulfonate Openeye Name: sodium 3-propylazulene-1-sulfonate CAS Name: sodium 3-propyl-1-azulenesulfonate IUPAC Name: sodium 3-propylazulene-1-sulfonate Traditional Name: sodium 3-propylazulene-1-sulfonate Formula: C13H13NaO3S MolecularWeight: 272.29529

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C1=CC=CC=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCC1=CC(=C2C1=CC=CC=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H14O3S.Na/c1-2-6-10-9-13(17(14,15)16)12-8-5-3-4-7-11(10)12;/h3-5,7-9H,2,6H2,1H3,(H,14,15,16);/q;+1/p-1