1,4-dioctyl-6,11-dihydrobenzo[c][1,6]benzodithiocine-2,3-dicarbonitrile

Systemtic Name: 1,4-dioctyl-6,11-dihydrobenzo[c][1,6]benzodithiocine-2,3-dicarbonitrile Openeye Name: 1,4-dioctyl-6,11-dihydrobenzo[c][1,6]benzodithiocine-2,3-dicarbonitrile CAS Name: 1,4-dioctyl-6,11-dihydrobenzo[c][1,6]benzodithiocin-2,3-dicarbonitrile IUPAC Name: 1,4-dioctyl-6,11-dihydrobenzo[c][1,6]benzodithiocine-2,3-dicarbonitrile Traditional Name: 1,4-dioctyl-6,11-dihydrobenzo[c][1,6]benzodithiocin-2,3-dicarbonitrile Formula: C32H42N2S2 MolecularWeight: 518.81928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C2C(=C(C(=C1C#N)C#N)CCCCCCCC)SCC3=CC=CC=C3CS2

Isomeric SMILES

CCCCCCCCC1=C2C(=C(C(=C1C#N)C#N)CCCCCCCC)SCC3=CC=CC=C3CS2

InChI

InChI=1S/C32H42N2S2/c1-3-5-7-9-11-13-19-27-29(21-33)30(22-34)28(20-14-12-10-8-6-4-2)32-31(27)35-23-25-17-15-16-18-26(25)24-36-32/h15-18H,3-14,19-20,23-24H2,1-2H3