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

Systemtic Name: sodium 4-methoxy-3-propyl-azulene-1-sulfonate Openeye Name: sodium 4-methoxy-3-propyl-azulene-1-sulfonate CAS Name: sodium 4-methoxy-3-propyl-1-azulenesulfonate IUPAC Name: sodium 4-methoxy-3-propylazulene-1-sulfonate Traditional Name: sodium 4-methoxy-3-propyl-azulene-1-sulfonate Formula: C14H15NaO4S MolecularWeight: 302.32127

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC=CC=C2OC)C(=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCC1=C2C(=CC=CC=C2OC)C(=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H16O4S.Na/c1-3-6-10-9-13(19(15,16)17)11-7-4-5-8-12(18-2)14(10)11;/h4-5,7-9H,3,6H2,1-2H3,(H,15,16,17);/q;+1/p-1