AC1NV8WR

5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfophenyl]ethenyl]benzenesulfonic acid

Also Known As: 5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfo-phenyl]vinyl]benzenesulfonic acid|5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfophenyl]ethenyl]benzenesulfonic acid|Benzenesulfonic acid, 2,2'-[(E)-1,2-ethenediyl]bis[5-[3-[4-(6-methyl-2-benzothiazolyl)phenyl]-2-oxadiaziridinyl]-

Molecular Formula	C42H30N6O8S4
Molecular Weight	874.10077 g/mol
LogP	9.86944
Topological Polar Surface Area	180.52 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	10
Exact Mass	874.10077
Monoisotopic Mass	874.10077
Heavy Atoms	60
Complexity	3283.3843

Chemical Identifiers

CAS Number	6276-97-7
SMILES	CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4N(O4)C5=CC(=C(C=C5)/C=C/C6=C(C=C(C=C6)N7N(O7)C8=CC=C(C=C8)C9=NC1=C(S9)C=C(C=C1)C)S(=O)(=O)O)S(=O)(=O)O