disodium 2-[4-[4-(5,7-dimethyl-4-sulfonato-1-benzofuran-2-yl)phenyl]phenyl]-5,7-dimethyl-1-benzofuran-4-sulfonate

Systemtic Name: disodium 2-[4-[4-(5,7-dimethyl-4-sulfonato-1-benzofuran-2-yl)phenyl]phenyl]-5,7-dimethyl-1-benzofuran-4-sulfonate Openeye Name: disodium 2-[4-[4-(5,7-dimethyl-4-sulfonato-benzofuran-2-yl)phenyl]phenyl]-5,7-dimethyl-benzofuran-4-sulfonate CAS Name: disodium 2-[4-[4-(5,7-dimethyl-4-sulfonato-2-benzofuranyl)phenyl]phenyl]-5,7-dimethyl-4-benzofuransulfonate IUPAC Name: disodium 2-[4-[4-(5,7-dimethyl-4-sulfonato-1-benzofuran-2-yl)phenyl]phenyl]-5,7-dimethyl-1-benzofuran-4-sulfonate Traditional Name: disodium 2-[4-[4-(5,7-dimethyl-4-sulfonato-benzofuran-2-yl)phenyl]phenyl]-5,7-dimethyl-benzofuran-4-sulfonate Formula: C32H24Na2O8S2 MolecularWeight: 646.6377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1OC(=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC6=C(O5)C(=CC(=C6S(=O)(=O)[O-])C)C)S(=O)(=O)[O-])C.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C2=C1OC(=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC6=C(O5)C(=CC(=C6S(=O)(=O)[O-])C)C)S(=O)(=O)[O-])C.[Na+].[Na+]

InChI

InChI=1S/C32H26O8S2.2Na/c1-17-13-19(3)31(41(33,34)35)25-15-27(39-29(17)25)23-9-5-21(6-10-23)22-7-11-24(12-8-22)28-16-26-30(40-28)18(2)14-20(4)32(26)42(36,37)38;;/h5-16H,1-4H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2