2-[4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid

Systemtic Name: 2-[4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid Openeye Name: 2-[4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid CAS Name: 2-[4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid IUPAC Name: 2-[4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid Traditional Name: 2-[4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid Formula: C20H13N3O7S2 MolecularWeight: 471.46312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O)C4=NC5=C(O4)C=C(C=C5)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O)C4=NC5=C(O4)C=C(C=C5)S(=O)(=O)O

InChI

InChI=1S/C20H13N3O7S2/c24-31(25,26)13-5-7-15-17(9-13)22-19(21-15)11-1-3-12(4-2-11)20-23-16-8-6-14(32(27,28)29)10-18(16)30-20/h1-10H,(H,21,22)(H,24,25,26)(H,27,28,29)