(4-decylsulfanylphenyl) 4-pyren-1-ylbutanoate

Systemtic Name: (4-decylsulfanylphenyl) 4-pyren-1-ylbutanoate Openeye Name: (4-decylsulfanylphenyl) 4-pyren-1-ylbutanoate CAS Name: 4-(1-pyrenyl)butanoic acid [4-(decylthio)phenyl] ester IUPAC Name: (4-decylsulfanylphenyl) 4-pyren-1-ylbutanoate Traditional Name: 4-pyren-1-ylbutyric acid [4-(decylthio)phenyl] ester Formula: C36H40O2S MolecularWeight: 536.7666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=CC=C(C=C1)OC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

CCCCCCCCCCSC1=CC=C(C=C1)OC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C36H40O2S/c1-2-3-4-5-6-7-8-9-26-39-32-23-21-31(22-24-32)38-34(37)15-11-12-27-16-17-30-19-18-28-13-10-14-29-20-25-33(27)36(30)35(28)29/h10,13-14,16-25H,2-9,11-12,15,26H2,1H3