9-methyl-3-(5-methylthiophen-2-yl)-5,5,7,7-tetraoctyl-benzo[d][2]benzoxepine

Systemtic Name: 9-methyl-3-(5-methylthiophen-2-yl)-5,5,7,7-tetraoctyl-benzo[d][2]benzoxepine Openeye Name: 9-methyl-3-(5-methyl-2-thienyl)-5,5,7,7-tetraoctyl-benzo[d][2]benzoxepine CAS Name: 9-methyl-3-(5-methyl-2-thiophenyl)-5,5,7,7-tetraoctylbenzo[d][2]benzoxepin IUPAC Name: 9-methyl-3-(5-methylthiophen-2-yl)-5,5,7,7-tetraoctylbenzo[d][2]benzoxepine Traditional Name: 9-methyl-3-(5-methyl-2-thienyl)-5,5,7,7-tetraoctyl-benzo[d][2]benzoxepin Formula: C52H82OS MolecularWeight: 755.27188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C52H82OS/c1-7-11-15-19-23-27-37-51(38-28-24-20-16-12-8-2)48-41-43(5)31-34-46(48)47-35-33-45(50-36-32-44(6)54-50)42-49(47)52(53-51,39-29-25-21-17-13-9-3)40-30-26-22-18-14-10-4/h31-36,41-42H,7-30,37-40H2,1-6H3