2-[4,5-bis(2-anthracen-9-yloxyethylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-benzodithiole

Systemtic Name: 2-[4,5-bis(2-anthracen-9-yloxyethylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-benzodithiole Openeye Name: 2-[4,5-bis[2-(9-anthryloxy)ethylsulfanyl]-1,3-dithiol-2-ylidene]-1,3-benzodithiole CAS Name: 2-[4,5-bis[2-(9-anthracenyloxy)ethylthio]-1,3-dithiol-2-ylidene]-1,3-benzodithiole IUPAC Name: 2-[4,5-bis(2-anthracen-9-yloxyethylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-benzodithiole Traditional Name: 2-[4,5-bis[2-(9-anthryloxy)ethylthio]-1,3-dithiol-2-ylidene]-1,3-benzodithiole Formula: C42H30O2S6 MolecularWeight: 759.0764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2OCCSC4=C(SC(=C5SC6=CC=CC=C6S5)S4)SCCOC7=C8C=CC=CC8=CC9=CC=CC=C97

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2OCCSC4=C(SC(=C5SC6=CC=CC=C6S5)S4)SCCOC7=C8C=CC=CC8=CC9=CC=CC=C97

InChI

InChI=1S/C42H30O2S6/c1-5-15-31-27(11-1)25-28-12-2-6-16-32(28)37(31)43-21-23-45-39-40(50-42(49-39)41-47-35-19-9-10-20-36(35)48-41)46-24-22-44-38-33-17-7-3-13-29(33)26-30-14-4-8-18-34(30)38/h1-20,25-26H,21-24H2