9-methyl-3-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6,6-dioctyl-benzo[d][1,3]benzodioxepine

Systemtic Name: 9-methyl-3-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6,6-dioctyl-benzo[d][1,3]benzodioxepine Openeye Name: 9-methyl-3-[5-(5-methyl-2-thienyl)-2-thienyl]-6,6-dioctyl-benzo[d][1,3]benzodioxepine CAS Name: 9-methyl-3-[5-(5-methyl-2-thiophenyl)-2-thiophenyl]-6,6-dioctylbenzo[d][1,3]benzodioxepin IUPAC Name: 9-methyl-3-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6,6-dioctylbenzo[d][1,3]benzodioxepine Traditional Name: 9-methyl-3-[5-(5-methyl-2-thienyl)-2-thienyl]-6,6-dioctyl-benzo[d][1,3]benzodioxepin Formula: C39H50O2S2 MolecularWeight: 614.9431

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(OC2=C(C=CC(=C2)C)C3=C(O1)C=C(C=C3)C4=CC=C(S4)C5=CC=C(S5)C)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1(OC2=C(C=CC(=C2)C)C3=C(O1)C=C(C=C3)C4=CC=C(S4)C5=CC=C(S5)C)CCCCCCCC

InChI

InChI=1S/C39H50O2S2/c1-5-7-9-11-13-15-25-39(26-16-14-12-10-8-6-2)40-34-27-29(3)17-20-32(34)33-21-19-31(28-35(33)41-39)36-23-24-38(43-36)37-22-18-30(4)42-37/h17-24,27-28H,5-16,25-26H2,1-4H3