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1-[bis(phenylsulfanyl)methyl]-2,5-dimethoxy-3-nitro-benzene

1-[bis(phenylsulfanyl)methyl]-2,5-dimethoxy-3-nitro-benzene

Systemtic Name:1-[bis(phenylsulfanyl)methyl]-2,5-dimethoxy-3-nitro-benzene
Openeye Name:1-[bis(phenylsulfanyl)methyl]-2,5-dimethoxy-3-nitro-benzene
CAS Name:1-[bis(phenylthio)methyl]-2,5-dimethoxy-3-nitrobenzene
IUPAC Name:1-[bis(phenylsulfanyl)methyl]-2,5-dimethoxy-3-nitrobenzene
Traditional Name:1-[bis(phenylthio)methyl]-2,5-dimethoxy-3-nitro-benzene
Formula: C21H19NO4S2
MolecularWeight: 413.50986
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C(SC2=CC=CC=C2)SC3=CC=CC=C3)OC)[N+](=O)[O-]


Isomeric SMILES

COC1=CC(=C(C(=C1)C(SC2=CC=CC=C2)SC3=CC=CC=C3)OC)[N+](=O)[O-]


InChI

InChI=1S/C21H19NO4S2/c1-25-15-13-18(20(26-2)19(14-15)22(23)24)21(27-16-9-5-3-6-10-16)28-17-11-7-4-8-12-17/h3-14,21H,1-2H3


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