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

Systemtic Name: 6-methyl-2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4-sulfonic acid Openeye Name: 6-methyl-2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4-sulfonic acid CAS Name: 6-methyl-2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4-sulfonic acid IUPAC Name: 6-methyl-2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4-sulfonic acid Traditional Name: 6-methyl-2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4-sulfonic acid Formula: C22H16N2O5S MolecularWeight: 420.43784

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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(O4)C=C(C=C5S(=O)(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)C4=NC5=C(O4)C=C(C=C5S(=O)(=O)O)C

InChI

InChI=1S/C22H16N2O5S/c1-12-3-8-16-17(9-12)28-21(23-16)14-4-6-15(7-5-14)22-24-20-18(29-22)10-13(2)11-19(20)30(25,26)27/h3-11H,1-2H3,(H,25,26,27)