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

Systemtic Name: 2-[4-(6-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid Openeye Name: 2-[4-(6-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid CAS Name: 2-[4-(6-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid IUPAC Name: 2-[4-(6-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid Traditional Name: 2-[4-(6-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid Formula: C20H12N2O11S3 MolecularWeight: 552.51108

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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(C=C(C=C5O4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(O2)C=C(C=C3)S(=O)(=O)O)C4=NC5=C(C=C(C=C5O4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H12N2O11S3/c23-34(24,25)12-5-6-14-15(7-12)32-19(21-14)10-1-3-11(4-2-10)20-22-18-16(33-20)8-13(35(26,27)28)9-17(18)36(29,30)31/h1-9H,(H,23,24,25)(H,26,27,28)(H,29,30,31)