azane; 2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]-1,3-benzoxazole-5-sulfonic acid

Systemtic Name: azane; 2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]-1,3-benzoxazole-5-sulfonic acid Openeye Name: ammonia; 2-[7-(diethylamino)-2-oxo-chromen-3-yl]-1,3-benzoxazole-5-sulfonic acid CAS Name: ammonia; 2-[7-(diethylamino)-2-oxo-1-benzopyran-3-yl]-1,3-benzoxazole-5-sulfonic acid IUPAC Name: azane; 2-[7-(diethylamino)-2-oxochromen-3-yl]-1,3-benzoxazole-5-sulfonic acid Traditional Name: ammonia; 2-[7-(diethylamino)-2-keto-chromen-3-yl]-1,3-benzoxazole-5-sulfonic acid Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=C(O3)C=CC(=C4)S(=O)(=O)O.N

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=C(O3)C=CC(=C4)S(=O)(=O)O.N

InChI

InChI=1S/C20H18N2O6S.H3N/c1-3-22(4-2)13-6-5-12-9-15(20(23)28-18(12)10-13)19-21-16-11-14(29(24,25)26)7-8-17(16)27-19;/h5-11H,3-4H2,1-2H3,(H,24,25,26);1H3