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

Systemtic Name: sodium 3-hexyl-4-methoxy-azulene-1-sulfonate Openeye Name: sodium 3-hexyl-4-methoxy-azulene-1-sulfonate CAS Name: sodium 3-hexyl-4-methoxy-1-azulenesulfonate IUPAC Name: sodium 3-hexyl-4-methoxyazulene-1-sulfonate Traditional Name: sodium 3-hexyl-4-methoxy-azulene-1-sulfonate Formula: C17H21NaO4S MolecularWeight: 344.40101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C(=CC=CC=C2OC)C(=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCC1=C2C(=CC=CC=C2OC)C(=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H22O4S.Na/c1-3-4-5-6-9-13-12-16(22(18,19)20)14-10-7-8-11-15(21-2)17(13)14;/h7-8,10-12H,3-6,9H2,1-2H3,(H,18,19,20);/q;+1/p-1