sodium 3-butyl-4-methoxy-azulene-1-sulfonate

Systemtic Name: sodium 3-butyl-4-methoxy-azulene-1-sulfonate Openeye Name: sodium 3-butyl-4-methoxy-azulene-1-sulfonate CAS Name: sodium 3-butyl-4-methoxy-1-azulenesulfonate IUPAC Name: sodium 3-butyl-4-methoxyazulene-1-sulfonate Traditional Name: sodium 3-butyl-4-methoxy-azulene-1-sulfonate Formula: C15H17NaO4S MolecularWeight: 316.34785

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=CC=CC=C2OC)C(=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCC1=C2C(=CC=CC=C2OC)C(=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H18O4S.Na/c1-3-4-7-11-10-14(20(16,17)18)12-8-5-6-9-13(19-2)15(11)12;/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17,18);/q;+1/p-1