2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Formula: C21H15N3O4S MolecularWeight: 405.4265

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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(N4)C=C(C=C5)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O

InChI

InChI=1S/C21H15N3O4S/c1-12-2-8-17-19(10-12)28-21(24-17)14-5-3-13(4-6-14)20-22-16-9-7-15(29(25,26)27)11-18(16)23-20/h2-11H,1H3,(H,22,23)(H,25,26,27)