1,3,6,8-tetrakis(phenylmethyl)pyrene-2-thiol

Systemtic Name: 1,3,6,8-tetrakis(phenylmethyl)pyrene-2-thiol Openeye Name: 1,3,6,8-tetrabenzylpyrene-2-thiol CAS Name: 1,3,6,8-tetrakis(phenylmethyl)-2-pyrenethiol IUPAC Name: 1,3,6,8-tetrabenzylpyrene-2-thiol Traditional Name: 1,3,6,8-tetrabenzylpyrene-2-thiol Formula: C44H34S MolecularWeight: 594.80576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C3C=CC4=C(C(=C(C5=C4C3=C2C=C5)CC6=CC=CC=C6)S)CC7=CC=CC=C7)CC8=CC=CC=C8

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C3C=CC4=C(C(=C(C5=C4C3=C2C=C5)CC6=CC=CC=C6)S)CC7=CC=CC=C7)CC8=CC=CC=C8

InChI

InChI=1S/C44H34S/c45-44-40(27-32-17-9-3-10-18-32)38-23-21-36-34(25-30-13-5-1-6-14-30)29-35(26-31-15-7-2-8-16-31)37-22-24-39(43(38)42(36)37)41(44)28-33-19-11-4-12-20-33/h1-24,29,45H,25-28H2