1,3,6,8-tetraphenylpyrene-2-thiol

Systemtic Name: 1,3,6,8-tetraphenylpyrene-2-thiol Openeye Name: 1,3,6,8-tetraphenylpyrene-2-thiol CAS Name: 1,3,6,8-tetraphenyl-2-pyrenethiol IUPAC Name: 1,3,6,8-tetraphenylpyrene-2-thiol Traditional Name: 1,3,6,8-tetraphenylpyrene-2-thiol Formula: C40H26S MolecularWeight: 538.69944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C3C=CC4=C(C(=C(C5=C4C3=C2C=C5)C6=CC=CC=C6)S)C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C3C=CC4=C(C(=C(C5=C4C3=C2C=C5)C6=CC=CC=C6)S)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C40H26S/c41-40-36(28-17-9-3-10-18-28)32-23-21-30-34(26-13-5-1-6-14-26)25-35(27-15-7-2-8-16-27)31-22-24-33(39(32)38(30)31)37(40)29-19-11-4-12-20-29/h1-25,41H