6-phenyl-5-[4-[6-(pyridin-2-ylmethylsulfanyl)hexoxy]phenyl]-8,9-dihydro-7H-benzo[7]annulen-2-ol

Systemtic Name: 6-phenyl-5-[4-[6-(pyridin-2-ylmethylsulfanyl)hexoxy]phenyl]-8,9-dihydro-7H-benzo[7]annulen-2-ol Openeye Name: 6-phenyl-5-[4-[6-(2-pyridylmethylsulfanyl)hexoxy]phenyl]-8,9-dihydro-7H-benzo[7]annulen-2-ol CAS Name: 6-phenyl-5-[4-[6-(2-pyridinylmethylthio)hexoxy]phenyl]-8,9-dihydro-7H-benzo[7]annulen-2-ol IUPAC Name: 6-phenyl-5-[4-[6-(pyridin-2-ylmethylsulfanyl)hexoxy]phenyl]-8,9-dihydro-7H-benzo[7]annulen-2-ol Traditional Name: 6-phenyl-5-[4-[6-(2-pyridylmethylthio)hexoxy]phenyl]-8,9-dihydro-7H-benzocyclohepten-2-ol Formula: C35H37NO2S MolecularWeight: 535.73878

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)O)C(=C(C1)C3=CC=CC=C3)C4=CC=C(C=C4)OCCCCCCSCC5=CC=CC=N5

Isomeric SMILES

C1CC2=C(C=CC(=C2)O)C(=C(C1)C3=CC=CC=C3)C4=CC=C(C=C4)OCCCCCCSCC5=CC=CC=N5

InChI

InChI=1S/C35H37NO2S/c37-31-18-21-34-29(25-31)13-10-15-33(27-11-4-3-5-12-27)35(34)28-16-19-32(20-17-28)38-23-8-1-2-9-24-39-26-30-14-6-7-22-36-30/h3-7,11-12,14,16-22,25,37H,1-2,8-10,13,15,23-24,26H2