bis[(4-chloranyl-6-naphthalen-2-yloxy-pyrimidin-2-yl)amino] 6-phenylcyclohexa-2,4-diene-1,1-disulfonate

Systemtic Name: bis[(4-chloranyl-6-naphthalen-2-yloxy-pyrimidin-2-yl)amino] 6-phenylcyclohexa-2,4-diene-1,1-disulfonate Openeye Name: bis[[4-chloro-6-(2-naphthyloxy)pyrimidin-2-yl]amino] 6-phenylcyclohexa-2,4-diene-1,1-disulfonate CAS Name: 6-phenylcyclohexa-2,4-diene-1,1-disulfonic acid bis[[4-chloro-6-(2-naphthalenyloxy)-2-pyrimidinyl]amino] ester IUPAC Name: bis[(4-chloro-6-naphthalen-2-yloxypyrimidin-2-yl)amino] 6-phenylcyclohexa-2,4-diene-1,1-disulfonate Traditional Name: 6-phenylcyclohexa-2,4-diene-1,1-disulfonic acid bis[[4-chloro-6-(2-naphthoxy)pyrimidin-2-yl]amino] ester Formula: C40H28Cl2N6O8S2 MolecularWeight: 855.72172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C=CC=CC2(S(=O)(=O)ONC3=NC(=CC(=N3)Cl)OC4=CC5=CC=CC=C5C=C4)S(=O)(=O)ONC6=NC(=CC(=N6)Cl)OC7=CC8=CC=CC=C8C=C7

Isomeric SMILES

C1=CC=C(C=C1)C2C=CC=CC2(S(=O)(=O)ONC3=NC(=CC(=N3)Cl)OC4=CC5=CC=CC=C5C=C4)S(=O)(=O)ONC6=NC(=CC(=N6)Cl)OC7=CC8=CC=CC=C8C=C7

InChI

InChI=1S/C40H28Cl2N6O8S2/c41-34-24-36(53-31-19-17-26-10-4-6-14-29(26)22-31)45-38(43-34)47-55-57(49,50)40(21-9-8-16-33(40)28-12-2-1-3-13-28)58(51,52)56-48-39-44-35(42)25-37(46-39)54-32-20-18-27-11-5-7-15-30(27)23-32/h1-25,33H,(H,43,45,47)(H,44,46,48)