2-[4,5-bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-benzodithiole-4,7-dione

Systemtic Name: 2-[4,5-bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-benzodithiole-4,7-dione Openeye Name: 2-[4,5-bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-benzodithiole-4,7-dione CAS Name: 2-[4,5-bis(pentylthio)-1,3-dithiol-2-ylidene]-1,3-benzodithiole-4,7-dione IUPAC Name: 2-[4,5-bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-benzodithiole-4,7-dione Traditional Name: 2-[4,5-bis(amylthio)-1,3-dithiol-2-ylidene]-1,3-benzodithiole-4,7-quinone Formula: C20H24O2S6 MolecularWeight: 488.79336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(SC(=C2SC3=C(S2)C(=O)C=CC3=O)S1)SCCCCC

Isomeric SMILES

CCCCCSC1=C(SC(=C2SC3=C(S2)C(=O)C=CC3=O)S1)SCCCCC

InChI

InChI=1S/C20H24O2S6/c1-3-5-7-11-23-17-18(24-12-8-6-4-2)28-20(27-17)19-25-15-13(21)9-10-14(22)16(15)26-19/h9-10H,3-8,11-12H2,1-2H3