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

Systemtic Name: sodium 4-methoxy-3-pentyl-azulene-1-sulfonate Openeye Name: sodium 4-methoxy-3-pentyl-azulene-1-sulfonate CAS Name: sodium 4-methoxy-3-pentyl-1-azulenesulfonate IUPAC Name: sodium 4-methoxy-3-pentylazulene-1-sulfonate Traditional Name: sodium 3-amyl-4-methoxy-azulene-1-sulfonate Formula: C16H19NaO4S MolecularWeight: 330.37443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C(=CC=CC=C2OC)C(=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCC1=C2C(=CC=CC=C2OC)C(=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H20O4S.Na/c1-3-4-5-8-12-11-15(21(17,18)19)13-9-6-7-10-14(20-2)16(12)13;/h6-7,9-11H,3-5,8H2,1-2H3,(H,17,18,19);/q;+1/p-1