4-[[4-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonic acid

Systemtic Name: 4-[[4-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonic acid Openeye Name: 4-[[4-(2-hydroxy-4-oxo-chromen-3-yl)thiazol-2-yl]amino]benzenesulfonic acid CAS Name: 4-[[4-(2-hydroxy-4-oxo-1-benzopyran-3-yl)-2-thiazolyl]amino]benzenesulfonic acid IUPAC Name: 4-[[4-(2-hydroxy-4-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonic acid Traditional Name: 4-[[4-(2-hydroxy-4-keto-chromen-3-yl)thiazol-2-yl]amino]besylic acid Formula: C18H12N2O6S2 MolecularWeight: 416.42768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(O2)O)C3=CSC(=N3)NC4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(O2)O)C3=CSC(=N3)NC4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C18H12N2O6S2/c21-16-12-3-1-2-4-14(12)26-17(22)15(16)13-9-27-18(20-13)19-10-5-7-11(8-6-10)28(23,24)25/h1-9,22H,(H,19,20)(H,23,24,25)