5-benzo[b][1]benzothiepin-5-ylbenzo[b][1]benzothiepine

Systemtic Name: 5-benzo[b][1]benzothiepin-5-ylbenzo[b][1]benzothiepine Openeye Name: 5-benzo[b][1]benzothiepin-5-ylbenzo[b][1]benzothiepine CAS Name: 5-(5-benzo[b][1]benzothiepinyl)benzo[b][1]benzothiepin IUPAC Name: 5-benzo[b][1]benzothiepin-5-ylbenzo[b][1]benzothiepine Traditional Name: 5-benzo[b][1]benzothiepin-5-ylbenzo[b][1]benzothiepin Formula: C28H18S2 MolecularWeight: 418.57252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C3=CC=CC=C3S2)C4=CC5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C3=CC=CC=C3S2)C4=CC5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C28H18S2/c1-5-13-25-19(9-1)17-23(21-11-3-7-15-27(21)29-25)24-18-20-10-2-6-14-26(20)30-28-16-8-4-12-22(24)28/h1-18H