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

Systemtic Name: 6-methyl-2-[(E)-2-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-4-sulfonic acid Openeye Name: 6-methyl-2-[(E)-2-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)vinyl]-1,3-benzoxazole-4-sulfonic acid CAS Name: 6-methyl-2-[(E)-2-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-4-sulfonic acid IUPAC Name: 6-methyl-2-[(E)-2-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-4-sulfonic acid Traditional Name: 6-methyl-2-[(E)-2-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)vinyl]-1,3-benzoxazole-4-sulfonic acid Formula: C18H14N2O8S2 MolecularWeight: 450.44236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)S(=O)(=O)O)N=C(O2)C=CC3=NC4=C(O3)C=C(C=C4S(=O)(=O)O)C

Isomeric SMILES

CC1=CC2=C(C(=C1)S(=O)(=O)O)N=C(O2)/C=C/C3=NC4=C(O3)C=C(C=C4S(=O)(=O)O)C

InChI

InChI=1S/C18H14N2O8S2/c1-9-5-11-17(13(7-9)29(21,22)23)19-15(27-11)3-4-16-20-18-12(28-16)6-10(2)8-14(18)30(24,25)26/h3-8H,1-2H3,(H,21,22,23)(H,24,25,26)/b4-3+