2-[3-phenyl-2-(3-sulfo-1-benzofuran-2-yl)phenyl]-1-benzofuran-3-sulfonic acid

Systemtic Name: 2-[3-phenyl-2-(3-sulfo-1-benzofuran-2-yl)phenyl]-1-benzofuran-3-sulfonic acid Openeye Name: 2-[3-phenyl-2-(3-sulfobenzofuran-2-yl)phenyl]benzofuran-3-sulfonic acid CAS Name: 2-[3-phenyl-2-(3-sulfo-2-benzofuranyl)phenyl]-3-benzofuransulfonic acid IUPAC Name: 2-[3-phenyl-2-(3-sulfo-1-benzofuran-2-yl)phenyl]-1-benzofuran-3-sulfonic acid Traditional Name: 2-[3-phenyl-2-(3-sulfobenzofuran-2-yl)phenyl]benzofuran-3-sulfonic acid Formula: C28H18O8S2 MolecularWeight: 546.56772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=C(C4=CC=CC=C4O3)S(=O)(=O)O)C5=C(C6=CC=CC=C6O5)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=C(C4=CC=CC=C4O3)S(=O)(=O)O)C5=C(C6=CC=CC=C6O5)S(=O)(=O)O

InChI

InChI=1S/C28H18O8S2/c29-37(30,31)27-19-11-4-6-15-22(19)35-25(27)21-14-8-13-18(17-9-2-1-3-10-17)24(21)26-28(38(32,33)34)20-12-5-7-16-23(20)36-26/h1-16H,(H,29,30,31)(H,32,33,34)