5-(diethylamino)-4-ethoxy-2-[(5-propan-2-yl-1,2-oxazol-3-yl)diazenyl]benzenesulfonic acid

Systemtic Name: 5-(diethylamino)-4-ethoxy-2-[(5-propan-2-yl-1,2-oxazol-3-yl)diazenyl]benzenesulfonic acid Openeye Name: 5-(diethylamino)-4-ethoxy-2-(5-isopropylisoxazol-3-yl)azo-benzenesulfonic acid CAS Name: 5-(diethylamino)-4-ethoxy-2-[(5-propan-2-yl-3-isoxazolyl)azo]benzenesulfonic acid IUPAC Name: 5-(diethylamino)-4-ethoxy-2-[(5-propan-2-yl-1,2-oxazol-3-yl)diazenyl]benzenesulfonic acid Traditional Name: 5-(diethylamino)-4-ethoxy-2-(5-isopropylisoxazol-3-yl)azo-besylic acid Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C(=C1)S(=O)(=O)O)N=NC2=NOC(=C2)C(C)C)OCC

Isomeric SMILES

CCN(CC)C1=C(C=C(C(=C1)S(=O)(=O)O)N=NC2=NOC(=C2)C(C)C)OCC

InChI

InChI=1S/C18H26N4O5S/c1-6-22(7-2)14-10-17(28(23,24)25)13(9-16(14)26-8-3)19-20-18-11-15(12(4)5)27-21-18/h9-12H,6-8H2,1-5H3,(H,23,24,25)