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

Systemtic Name: 1,3,6,8-tetraoctylpyrene-2-thiol Openeye Name: 1,3,6,8-tetraoctylpyrene-2-thiol CAS Name: 1,3,6,8-tetraoctyl-2-pyrenethiol IUPAC Name: 1,3,6,8-tetraoctylpyrene-2-thiol Traditional Name: 1,3,6,8-tetraoctylpyrene-2-thiol Formula: C48H74S MolecularWeight: 683.16616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C2C=CC3=C(C(=C(C4=C3C2=C1C=C4)CCCCCCCC)S)CCCCCCCC)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC(=C2C=CC3=C(C(=C(C4=C3C2=C1C=C4)CCCCCCCC)S)CCCCCCCC)CCCCCCCC

InChI

InChI=1S/C48H74S/c1-5-9-13-17-21-25-29-38-37-39(30-26-22-18-14-10-6-2)41-34-36-43-45(32-28-24-20-16-12-8-4)48(49)44(31-27-23-19-15-11-7-3)42-35-33-40(38)46(41)47(42)43/h33-37,49H,5-32H2,1-4H3