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

Systemtic Name: 2-[(E)-2-(6-sulfo-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid Openeye Name: 2-[(E)-2-(6-sulfo-1,3-benzoxazol-2-yl)vinyl]-1,3-benzoxazole-6-sulfonic acid CAS Name: 2-[(E)-2-(6-sulfo-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid IUPAC Name: 2-[(E)-2-(6-sulfo-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid Traditional Name: 2-[(E)-2-(6-sulfo-1,3-benzoxazol-2-yl)vinyl]-1,3-benzoxazole-6-sulfonic acid Formula: C16H10N2O8S2 MolecularWeight: 422.3892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)OC(=N2)C=CC3=NC4=C(O3)C=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)OC(=N2)/C=C/C3=NC4=C(O3)C=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C16H10N2O8S2/c19-27(20,21)9-1-3-11-13(7-9)25-15(17-11)5-6-16-18-12-4-2-10(28(22,23)24)8-14(12)26-16/h1-8H,(H,19,20,21)(H,22,23,24)/b6-5+