2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid

Systemtic Name: 2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid Openeye Name: 2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid CAS Name: 2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid IUPAC Name: 2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid Traditional Name: 2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid Formula: C21H14N2O8S2 MolecularWeight: 486.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5O4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5O4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C21H14N2O8S2/c1-11-2-7-15-16(8-11)30-20(22-15)12-3-5-13(6-4-12)21-23-19-17(31-21)9-14(32(24,25)26)10-18(19)33(27,28)29/h2-10H,1H3,(H,24,25,26)(H,27,28,29)