copper [azanyl-[3-[4-[(4-methylphenyl)diazenyl]phenoxy]propylsulfanyl]methylidene]azanium dibromide dichloride

Systemtic Name: copper [azanyl-[3-[4-[(4-methylphenyl)diazenyl]phenoxy]propylsulfanyl]methylidene]azanium dibromide dichloride Openeye Name: copper [amino-[3-[4-(p-tolylazo)phenoxy]propylsulfanyl]methylene]ammonium dibromide dichloride CAS Name: copper [amino-[3-[4-(4-methylphenyl)azophenoxy]propylthio]methylidene]ammonium dibromide dichloride IUPAC Name: copper [amino-[3-[4-[(4-methylphenyl)diazenyl]phenoxy]propylsulfanyl]methylidene]azanium dibromide dichloride Traditional Name: cupric [amino-[3-[4-(p-tolylazo)phenoxy]propylthio]methylene]ammonium dibromide dichloride Formula: C34H42Br2Cl2CuN8O2S2 MolecularWeight: 953.13968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCSC(=[NH2+])N.CC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCSC(=[NH2+])N.[Cl-].[Cl-].[Cu+2].[Br-].[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCSC(=[NH2+])N.CC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCSC(=[NH2+])N.[Cl-].[Cl-].[Cu+2].[Br-].[Br-]

InChI

InChI=1S/2C17H20N4OS.2BrH.2ClH.Cu/c2*1-13-3-5-14(6-4-13)20-21-15-7-9-16(10-8-15)22-11-2-12-23-17(18)19;;;;;/h2*3-10H,2,11-12H2,1H3,(H3,18,19);4*1H;/q;;;;;;+2/p-2