2-[(E)-2-(6-sulfo-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-4,6-disulfonic acid

Systemtic Name: 2-[(E)-2-(6-sulfo-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-4,6-disulfonic acid Openeye Name: 2-[(E)-2-(6-sulfo-1,3-benzoxazol-2-yl)vinyl]-1,3-benzoxazole-4,6-disulfonic acid CAS Name: 2-[(E)-2-(6-sulfo-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-4,6-disulfonic acid IUPAC Name: 2-[(E)-2-(6-sulfo-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-4,6-disulfonic acid Traditional Name: 2-[(E)-2-(6-sulfo-1,3-benzoxazol-2-yl)vinyl]-1,3-benzoxazole-4,6-disulfonic acid Formula: C16H10N2O11S3 MolecularWeight: 502.4524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)OC(=N2)C=CC3=NC4=C(C=C(C=C4O3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)OC(=N2)/C=C/C3=NC4=C(C=C(C=C4O3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H10N2O11S3/c19-30(20,21)8-1-2-10-11(5-8)28-14(17-10)3-4-15-18-16-12(29-15)6-9(31(22,23)24)7-13(16)32(25,26)27/h1-7H,(H,19,20,21)(H,22,23,24)(H,25,26,27)/b4-3+