2-[(5,6-dinitro-4-phenyl-1,3-benzothiazol-2-yl)sulfanyl]-5,6-dinitro-4-phenyl-1,3-benzothiazole

Systemtic Name: 2-[(5,6-dinitro-4-phenyl-1,3-benzothiazol-2-yl)sulfanyl]-5,6-dinitro-4-phenyl-1,3-benzothiazole Openeye Name: 2-[(5,6-dinitro-4-phenyl-1,3-benzothiazol-2-yl)sulfanyl]-5,6-dinitro-4-phenyl-1,3-benzothiazole CAS Name: 2-[(5,6-dinitro-4-phenyl-1,3-benzothiazol-2-yl)thio]-5,6-dinitro-4-phenyl-1,3-benzothiazole IUPAC Name: 2-[(5,6-dinitro-4-phenyl-1,3-benzothiazol-2-yl)sulfanyl]-5,6-dinitro-4-phenyl-1,3-benzothiazole Traditional Name: 2-[(5,6-dinitro-4-phenyl-1,3-benzothiazol-2-yl)thio]-5,6-dinitro-4-phenyl-1,3-benzothiazole Formula: C26H12N6O8S3 MolecularWeight: 632.60388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=CC3=C2N=C(S3)SC4=NC5=C(S4)C=C(C(=C5C6=CC=CC=C6)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=CC3=C2N=C(S3)SC4=NC5=C(S4)C=C(C(=C5C6=CC=CC=C6)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H12N6O8S3/c33-29(34)15-11-17-21(19(23(15)31(37)38)13-7-3-1-4-8-13)27-25(41-17)43-26-28-22-18(42-26)12-16(30(35)36)24(32(39)40)20(22)14-9-5-2-6-10-14/h1-12H