sodium 3-pentylazulene-1-sulfonate

Systemtic Name: sodium 3-pentylazulene-1-sulfonate Openeye Name: sodium 3-pentylazulene-1-sulfonate CAS Name: sodium 3-pentyl-1-azulenesulfonate IUPAC Name: sodium 3-pentylazulene-1-sulfonate Traditional Name: sodium 3-amylazulene-1-sulfonate Formula: C15H17NaO3S MolecularWeight: 300.34845

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C2C1=CC=CC=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCC1=CC(=C2C1=CC=CC=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H18O3S.Na/c1-2-3-5-8-12-11-15(19(16,17)18)14-10-7-4-6-9-13(12)14;/h4,6-7,9-11H,2-3,5,8H2,1H3,(H,16,17,18);/q;+1/p-1