4-[2-(2,3-disulfo-2H-1,3-benzoxazol-4-yl)phenyl]-2H-1,3-benzoxazole-2,3-disulfonic acid

Systemtic Name: 4-[2-(2,3-disulfo-2H-1,3-benzoxazol-4-yl)phenyl]-2H-1,3-benzoxazole-2,3-disulfonic acid Openeye Name: 4-[2-(2,3-disulfo-2H-1,3-benzoxazol-4-yl)phenyl]-2H-1,3-benzoxazole-2,3-disulfonic acid CAS Name: 4-[2-(2,3-disulfo-2H-1,3-benzoxazol-4-yl)phenyl]-2H-1,3-benzoxazole-2,3-disulfonic acid IUPAC Name: 4-[2-(2,3-disulfo-2H-1,3-benzoxazol-4-yl)phenyl]-2H-1,3-benzoxazole-2,3-disulfonic acid Traditional Name: 4-[2-(2,3-disulfo-2H-1,3-benzoxazol-4-yl)phenyl]-2H-1,3-benzoxazole-2,3-disulfonic acid Formula: C20H16N2O14S4 MolecularWeight: 636.60604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C(=CC=C2)OC(N3S(=O)(=O)O)S(=O)(=O)O)C4=C5C(=CC=C4)OC(N5S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C(=CC=C2)OC(N3S(=O)(=O)O)S(=O)(=O)O)C4=C5C(=CC=C4)OC(N5S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H16N2O14S4/c23-37(24,25)19-21(39(29,30)31)17-13(7-3-9-15(17)35-19)11-5-1-2-6-12(11)14-8-4-10-16-18(14)22(40(32,33)34)20(36-16)38(26,27)28/h1-10,19-20H,(H,23,24,25)(H,26,27,28)(H,29,30,31)(H,32,33,34)