disodium 2-[4-[4-(3,5-dimethyl-6-sulfonato-1-benzofuran-2-yl)phenyl]phenyl]-3,5-dimethyl-1-benzofuran-6-sulfonate

Systemtic Name: disodium 2-[4-[4-(3,5-dimethyl-6-sulfonato-1-benzofuran-2-yl)phenyl]phenyl]-3,5-dimethyl-1-benzofuran-6-sulfonate Openeye Name: disodium 2-[4-[4-(3,5-dimethyl-6-sulfonato-benzofuran-2-yl)phenyl]phenyl]-3,5-dimethyl-benzofuran-6-sulfonate CAS Name: disodium 2-[4-[4-(3,5-dimethyl-6-sulfonato-2-benzofuranyl)phenyl]phenyl]-3,5-dimethyl-6-benzofuransulfonate IUPAC Name: disodium 2-[4-[4-(3,5-dimethyl-6-sulfonato-1-benzofuran-2-yl)phenyl]phenyl]-3,5-dimethyl-1-benzofuran-6-sulfonate Traditional Name: disodium 2-[4-[4-(3,5-dimethyl-6-sulfonato-benzofuran-2-yl)phenyl]phenyl]-3,5-dimethyl-benzofuran-6-sulfonate Formula: C32H24Na2O8S2 MolecularWeight: 646.6377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=C(C6=CC(=C(C=C6O5)S(=O)(=O)[O-])C)C)C)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=C(C6=CC(=C(C=C6O5)S(=O)(=O)[O-])C)C)C)S(=O)(=O)[O-].[Na+].[Na+]

InChI

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