disodium 2-phenyl-5,5-bis[(4-sulfanyl-6-sulfanylidene-1H-pyrimidin-2-yl)amino]cyclohex-3-ene-1,1-disulfonate

Systemtic Name: disodium 2-phenyl-5,5-bis[(4-sulfanyl-6-sulfanylidene-1H-pyrimidin-2-yl)amino]cyclohex-3-ene-1,1-disulfonate Openeye Name: disodium 2-phenyl-5,5-bis[(4-sulfanyl-6-thioxo-1H-pyrimidin-2-yl)amino]cyclohex-3-ene-1,1-disulfonate CAS Name: disodium 5,5-bis[(4-mercapto-6-sulfanylidene-1H-pyrimidin-2-yl)amino]-2-phenylcyclohex-3-ene-1,1-disulfonate IUPAC Name: disodium 2-phenyl-5,5-bis[(4-sulfanyl-6-sulfanylidene-1H-pyrimidin-2-yl)amino]cyclohex-3-ene-1,1-disulfonate Traditional Name: disodium 5,5-bis[(4-mercapto-6-thioxo-1H-pyrimidin-2-yl)amino]-2-phenyl-cyclohex-3-ene-1,1-disulfonate Formula: C20H18N6Na2O6S6 MolecularWeight: 676.76306

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC(C1(S(=O)(=O)[O-])S(=O)(=O)[O-])C2=CC=CC=C2)(NC3=NC(=CC(=S)N3)S)NC4=NC(=CC(=S)N4)S.[Na+].[Na+]

Isomeric SMILES

C1C(C=CC(C1(S(=O)(=O)[O-])S(=O)(=O)[O-])C2=CC=CC=C2)(NC3=NC(=CC(=S)N3)S)NC4=NC(=CC(=S)N4)S.[Na+].[Na+]

InChI

InChI=1S/C20H20N6O6S6.2Na/c27-37(28,29)20(38(30,31)32)10-19(25-17-21-13(33)8-14(34)22-17,26-18-23-15(35)9-16(36)24-18)7-6-12(20)11-4-2-1-3-5-11;;/h1-9,12H,10H2,(H,27,28,29)(H,30,31,32)(H3,21,22,25,33,34)(H3,23,24,26,35,36);;/q;2*+1/p-2