2-[5-(5-sulfo-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole-5-sulfonic acid

Systemtic Name: 2-[5-(5-sulfo-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole-5-sulfonic acid Openeye Name: 2-[5-(5-sulfo-1,3-benzoxazol-2-yl)-2-thienyl]-1,3-benzoxazole-5-sulfonic acid CAS Name: 2-[5-(5-sulfo-1,3-benzoxazol-2-yl)-2-thiophenyl]-1,3-benzoxazole-5-sulfonic acid IUPAC Name: 2-[5-(5-sulfo-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole-5-sulfonic acid Traditional Name: 2-[5-(5-sulfo-1,3-benzoxazol-2-yl)-2-thienyl]-1,3-benzoxazole-5-sulfonic acid Formula: C18H10N2O8S3 MolecularWeight: 478.4756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)N=C(O2)C3=CC=C(S3)C4=NC5=C(O4)C=CC(=C5)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)N=C(O2)C3=CC=C(S3)C4=NC5=C(O4)C=CC(=C5)S(=O)(=O)O

InChI

InChI=1S/C18H10N2O8S3/c21-30(22,23)9-1-3-13-11(7-9)19-17(27-13)15-5-6-16(29-15)18-20-12-8-10(31(24,25)26)2-4-14(12)28-18/h1-8H,(H,21,22,23)(H,24,25,26)