3,7-bis[(1,3-dimethylthieno[3,2-c]pyrazol-5-yl)carbonylamino]-5,5-bis(oxidanylidene)dibenzothiophene-2,8-disulfonic acid

Systemtic Name: 3,7-bis[(1,3-dimethylthieno[3,2-c]pyrazol-5-yl)carbonylamino]-5,5-bis(oxidanylidene)dibenzothiophene-2,8-disulfonic acid Openeye Name: 3,7-bis[(1,3-dimethylthieno[3,2-c]pyrazole-5-carbonyl)amino]-5,5-dioxo-dibenzothiophene-2,8-disulfonic acid CAS Name: 3,7-bis[[(1,3-dimethyl-5-thieno[3,2-c]pyrazolyl)-oxomethyl]amino]-5,5-dioxodibenzothiophene-2,8-disulfonic acid IUPAC Name: 3,7-bis[(1,3-dimethylthieno[3,2-c]pyrazole-5-carbonyl)amino]-5,5-dioxodibenzothiophene-2,8-disulfonic acid Traditional Name: 3,7-bis[(1,3-dimethylthieno[3,2-c]pyrazole-5-carbonyl)amino]-5,5-diketo-dibenzothiophene-2,8-disulfonic acid Formula: C28H22N6O10S5 MolecularWeight: 762.83348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1SC(=C2)C(=O)NC3=C(C=C4C5=CC(=C(C=C5S(=O)(=O)C4=C3)NC(=O)C6=CC7=C(S6)C(=NN7C)C)S(=O)(=O)O)S(=O)(=O)O)C

Isomeric SMILES

CC1=NN(C2=C1SC(=C2)C(=O)NC3=C(C=C4C5=CC(=C(C=C5S(=O)(=O)C4=C3)NC(=O)C6=CC7=C(S6)C(=NN7C)C)S(=O)(=O)O)S(=O)(=O)O)C

InChI

InChI=1S/C28H22N6O10S5/c1-11-25-17(33(3)31-11)9-19(45-25)27(35)29-15-7-21-13(5-23(15)48(39,40)41)14-6-24(49(42,43)44)16(8-22(14)47(21,37)38)30-28(36)20-10-18-26(46-20)12(2)32-34(18)4/h5-10H,1-4H3,(H,29,35)(H,30,36)(H,39,40,41)(H,42,43,44)