1-(3-hexylsulfanylphenyl)pyrrole-2,5-dione

Systemtic Name: 1-(3-hexylsulfanylphenyl)pyrrole-2,5-dione Openeye Name: 1-(3-hexylsulfanylphenyl)pyrrole-2,5-dione CAS Name: 1-[3-(hexylthio)phenyl]pyrrole-2,5-dione IUPAC Name: 1-(3-hexylsulfanylphenyl)pyrrole-2,5-dione Traditional Name: 1-[3-(hexylthio)phenyl]-3-pyrroline-2,5-quinone Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC=CC(=C1)N2C(=O)C=CC2=O

Isomeric SMILES

CCCCCCSC1=CC=CC(=C1)N2C(=O)C=CC2=O

InChI

InChI=1S/C16H19NO2S/c1-2-3-4-5-11-20-14-8-6-7-13(12-14)17-15(18)9-10-16(17)19/h6-10,12H,2-5,11H2,1H3