1-octadecan-4-ylsulfanyl-3-phenyl-pyrrolidine-2,5-dione

Systemtic Name: 1-octadecan-4-ylsulfanyl-3-phenyl-pyrrolidine-2,5-dione Openeye Name: 3-phenyl-1-(1-propylpentadecylsulfanyl)pyrrolidine-2,5-dione CAS Name: 1-(octadecan-4-ylthio)-3-phenylpyrrolidine-2,5-dione IUPAC Name: 1-octadecan-4-ylsulfanyl-3-phenylpyrrolidine-2,5-dione Traditional Name: 3-phenyl-1-(1-propylpentadecylthio)pyrrolidine-2,5-quinone Formula: C28H45NO2S MolecularWeight: 459.7274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCC)SN1C(=O)CC(C1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCC(CCC)SN1C(=O)CC(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C28H45NO2S/c1-3-5-6-7-8-9-10-11-12-13-14-18-22-25(19-4-2)32-29-27(30)23-26(28(29)31)24-20-16-15-17-21-24/h15-17,20-21,25-26H,3-14,18-19,22-23H2,1-2H3