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

Systemtic Name: 1,3,6,8-tetrahexylpyrene-2-thiol Openeye Name: 1,3,6,8-tetrahexylpyrene-2-thiol CAS Name: 1,3,6,8-tetrahexyl-2-pyrenethiol IUPAC Name: 1,3,6,8-tetrahexylpyrene-2-thiol Traditional Name: 1,3,6,8-tetrahexylpyrene-2-thiol Formula: C40H58S MolecularWeight: 570.95352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C2C=CC3=C(C(=C(C4=C3C2=C1C=C4)CCCCCC)S)CCCCCC)CCCCCC

Isomeric SMILES

CCCCCCC1=CC(=C2C=CC3=C(C(=C(C4=C3C2=C1C=C4)CCCCCC)S)CCCCCC)CCCCCC

InChI

InChI=1S/C40H58S/c1-5-9-13-17-21-30-29-31(22-18-14-10-6-2)33-26-28-35-37(24-20-16-12-8-4)40(41)36(23-19-15-11-7-3)34-27-25-32(30)38(33)39(34)35/h25-29,41H,5-24H2,1-4H3