2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]oxysulfonyl-2H-1,3-benzoxazole-3-sulfonic acid

Systemtic Name: 2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]oxysulfonyl-2H-1,3-benzoxazole-3-sulfonic acid Openeye Name: 2-[7-(diethylamino)-2-oxo-chromen-3-yl]oxysulfonyl-2H-1,3-benzoxazole-3-sulfonic acid CAS Name: 2-[[7-(diethylamino)-2-oxo-1-benzopyran-3-yl]oxysulfonyl]-2H-1,3-benzoxazole-3-sulfonic acid IUPAC Name: 2-[7-(diethylamino)-2-oxochromen-3-yl]oxysulfonyl-2H-1,3-benzoxazole-3-sulfonic acid Traditional Name: 2-[7-(diethylamino)-2-keto-chromen-3-yl]oxysulfonyl-2H-1,3-benzoxazole-3-sulfonic acid Formula: C20H20N2O9S2 MolecularWeight: 496.5108

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)OS(=O)(=O)C3N(C4=CC=CC=C4O3)S(=O)(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)OS(=O)(=O)C3N(C4=CC=CC=C4O3)S(=O)(=O)O

InChI

InChI=1S/C20H20N2O9S2/c1-3-21(4-2)14-10-9-13-11-18(19(23)29-17(13)12-14)31-32(24,25)20-22(33(26,27)28)15-7-5-6-8-16(15)30-20/h5-12,20H,3-4H2,1-2H3,(H,26,27,28)