4-[10-(4-azaniumylbutylsulfanyl)anthracen-9-yl]sulfanylbutylazanium

Systemtic Name: 4-[10-(4-azaniumylbutylsulfanyl)anthracen-9-yl]sulfanylbutylazanium Openeye Name: 4-[[10-(4-azaniumylbutylsulfanyl)-9-anthryl]sulfanyl]butylammonium CAS Name: 4-[[10-(4-ammoniobutylthio)-9-anthracenyl]thio]butylammonium IUPAC Name: 4-[10-(4-azaniumylbutylsulfanyl)anthracen-9-yl]sulfanylbutylazanium Traditional Name: 4-[[10-(4-ammoniobutylthio)-9-anthryl]thio]butylammonium Formula: C22H30N2S2+2 MolecularWeight: 386.617

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2SCCCC[NH3+])SCCCC[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2SCCCC[NH3+])SCCCC[NH3+]

InChI

InChI=1S/C22H28N2S2/c23-13-5-7-15-25-21-17-9-1-2-10-18(17)22(26-16-8-6-14-24)20-12-4-3-11-19(20)21/h1-4,9-12H,5-8,13-16,23-24H2/p+2