sodium 3-butylazulene-1-sulfonate

Systemtic Name: sodium 3-butylazulene-1-sulfonate Openeye Name: sodium 3-butylazulene-1-sulfonate CAS Name: sodium 3-butyl-1-azulenesulfonate IUPAC Name: sodium 3-butylazulene-1-sulfonate Traditional Name: sodium 3-butylazulene-1-sulfonate Formula: C14H15NaO3S MolecularWeight: 286.32187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C2C1=CC=CC=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCC1=CC(=C2C1=CC=CC=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H16O3S.Na/c1-2-3-7-11-10-14(18(15,16)17)13-9-6-4-5-8-12(11)13;/h4-6,8-10H,2-3,7H2,1H3,(H,15,16,17);/q;+1/p-1