disodium 3-methyl-2-[4-[4-(3-methyl-6-sulfinatooxy-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran-6-sulfonate

Systemtic Name: disodium 3-methyl-2-[4-[4-(3-methyl-6-sulfinatooxy-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran-6-sulfonate Openeye Name: disodium 3-methyl-2-[4-[4-(3-methyl-6-sulfinatooxy-benzofuran-2-yl)phenyl]phenyl]benzofuran-6-sulfonate CAS Name: disodium 3-methyl-2-[4-[4-(3-methyl-6-sulfinatooxy-2-benzofuranyl)phenyl]phenyl]-6-benzofuransulfonate IUPAC Name: disodium 3-methyl-2-[4-[4-(3-methyl-6-sulfinatooxy-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran-6-sulfonate Traditional Name: disodium 3-methyl-2-[4-[4-(3-methyl-6-sulfito-benzofuran-2-yl)phenyl]phenyl]benzofuran-6-sulfonate Formula: C30H20Na2O8S2 MolecularWeight: 618.58454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC(=C2)OS(=O)[O-])C3=CC=C(C=C3)C4=CC=C(C=C4)C5=C(C6=C(O5)C=C(C=C6)S(=O)(=O)[O-])C.[Na+].[Na+]

Isomeric SMILES

CC1=C(OC2=C1C=CC(=C2)OS(=O)[O-])C3=CC=C(C=C3)C4=CC=C(C=C4)C5=C(C6=C(O5)C=C(C=C6)S(=O)(=O)[O-])C.[Na+].[Na+]

InChI

InChI=1S/C30H22O8S2.2Na/c1-17-25-13-11-23(38-39(31)32)15-27(25)36-29(17)21-7-3-19(4-8-21)20-5-9-22(10-6-20)30-18(2)26-14-12-24(40(33,34)35)16-28(26)37-30;;/h3-16H,1-2H3,(H,31,32)(H,33,34,35);;/q;2*+1/p-2