sodium 4-methoxy-7-propan-2-yl-3-propyl-azulene-1-sulfonate

Systemtic Name: sodium 4-methoxy-7-propan-2-yl-3-propyl-azulene-1-sulfonate Openeye Name: sodium 7-isopropyl-4-methoxy-3-propyl-azulene-1-sulfonate CAS Name: sodium 4-methoxy-7-propan-2-yl-3-propyl-1-azulenesulfonate IUPAC Name: sodium 4-methoxy-7-propan-2-yl-3-propylazulene-1-sulfonate Traditional Name: sodium 7-isopropyl-4-methoxy-3-propyl-azulene-1-sulfonate Formula: C17H21NaO4S MolecularWeight: 344.40101

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C1=C(C=CC(=C2)C(C)C)OC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCC1=CC(=C2C1=C(C=CC(=C2)C(C)C)OC)S(=O)(=O)[O-].[Na+]

InChI

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