5-[2-(2,4-disulfo-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazole-2,4-disulfonic acid

Systemtic Name: 5-[2-(2,4-disulfo-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazole-2,4-disulfonic acid Openeye Name: 5-[2-(2,4-disulfo-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazole-2,4-disulfonic acid CAS Name: 5-[2-(2,4-disulfo-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazole-2,4-disulfonic acid IUPAC Name: 5-[2-(2,4-disulfo-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazole-2,4-disulfonic acid Traditional Name: 5-[2-(2,4-disulfo-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazole-2,4-disulfonic acid Formula: C20H12N2O14S4 MolecularWeight: 632.57428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C3=C(C=C2)OC(=N3)S(=O)(=O)O)S(=O)(=O)O)C4=C(C5=C(C=C4)OC(=N5)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C3=C(C=C2)OC(=N3)S(=O)(=O)O)S(=O)(=O)O)C4=C(C5=C(C=C4)OC(=N5)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H12N2O14S4/c23-37(24,25)17-11(5-7-13-15(17)21-19(35-13)39(29,30)31)9-3-1-2-4-10(9)12-6-8-14-16(18(12)38(26,27)28)22-20(36-14)40(32,33)34/h1-8H,(H,23,24,25)(H,26,27,28)(H,29,30,31)(H,32,33,34)