disodium 2-[4-[4-(3-sulfonato-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran-3-sulfonate

Systemtic Name: disodium 2-[4-[4-(3-sulfonato-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran-3-sulfonate Openeye Name: disodium 2-[4-[4-(3-sulfonatobenzofuran-2-yl)phenyl]phenyl]benzofuran-3-sulfonate CAS Name: disodium 2-[4-[4-(3-sulfonato-2-benzofuranyl)phenyl]phenyl]-3-benzofuransulfonate IUPAC Name: disodium 2-[4-[4-(3-sulfonato-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran-3-sulfonate Traditional Name: disodium 2-[4-[4-(3-sulfonatobenzofuran-2-yl)phenyl]phenyl]benzofuran-3-sulfonate Formula: C28H16Na2O8S2 MolecularWeight: 590.53138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=C(C6=CC=CC=C6O5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=C(C6=CC=CC=C6O5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

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