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5,6,7,8-tetraoctylpyrene-4-thiol

5,6,7,8-tetraoctylpyrene-4-thiol

Systemtic Name:5,6,7,8-tetraoctylpyrene-4-thiol
Openeye Name:5,6,7,8-tetraoctylpyrene-4-thiol
CAS Name:5,6,7,8-tetraoctyl-4-pyrenethiol
IUPAC Name:5,6,7,8-tetraoctylpyrene-4-thiol
Traditional Name:5,6,7,8-tetraoctylpyrene-4-thiol
Formula: C48H74S
MolecularWeight: 683.16616
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C2C(=C(C3=CC=CC4=C3C2=C1C=C4)S)CCCCCCCC)CCCCCCCC)CCCCCCCC


Isomeric SMILES

CCCCCCCCC1=C(C(=C2C(=C(C3=CC=CC4=C3C2=C1C=C4)S)CCCCCCCC)CCCCCCCC)CCCCCCCC


InChI

InChI=1S/C48H74S/c1-5-9-13-17-21-25-31-39-40(32-26-22-18-14-10-6-2)42-37-36-38-30-29-35-43-45(38)47(42)46(41(39)33-27-23-19-15-11-7-3)44(48(43)49)34-28-24-20-16-12-8-4/h29-30,35-37,49H,5-28,31-34H2,1-4H3


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