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

Systemtic Name: 2-[4-(6-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid Openeye Name: 2-[4-(6-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid CAS Name: 2-[4-(6-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid IUPAC Name: 2-[4-(6-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid Traditional Name: 2-[4-(6-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid Formula: C20H12N2O8S2 MolecularWeight: 472.44788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(O2)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(O2)C=C(C=C3)S(=O)(=O)O)C4=NC5=C(O4)C=C(C=C5)S(=O)(=O)O

InChI

InChI=1S/C20H12N2O8S2/c23-31(24,25)13-5-7-15-17(9-13)29-19(21-15)11-1-2-12(4-3-11)20-22-16-8-6-14(32(26,27)28)10-18(16)30-20/h1-10H,(H,23,24,25)(H,26,27,28)