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

Systemtic Name: 9-methyl-3-(5-methylthiophen-2-yl)-6,6-dioctyl-benzo[d][1,3]benzodioxepine Openeye Name: 9-methyl-3-(5-methyl-2-thienyl)-6,6-dioctyl-benzo[d][1,3]benzodioxepine CAS Name: 9-methyl-3-(5-methyl-2-thiophenyl)-6,6-dioctylbenzo[d][1,3]benzodioxepin IUPAC Name: 9-methyl-3-(5-methylthiophen-2-yl)-6,6-dioctylbenzo[d][1,3]benzodioxepine Traditional Name: 9-methyl-3-(5-methyl-2-thienyl)-6,6-dioctyl-benzo[d][1,3]benzodioxepin Formula: C35H48O2S MolecularWeight: 532.81942

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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)C)CCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C35H48O2S/c1-5-7-9-11-13-15-23-35(24-16-14-12-10-8-6-2)36-32-25-27(3)17-20-30(32)31-21-19-29(26-33(31)37-35)34-22-18-28(4)38-34/h17-22,25-26H,5-16,23-24H2,1-4H3