1-octadecan-4-ylsulfanyl-3-phenyl-azepane-2,7-dione

Systemtic Name: 1-octadecan-4-ylsulfanyl-3-phenyl-azepane-2,7-dione Openeye Name: 3-phenyl-1-(1-propylpentadecylsulfanyl)azepane-2,7-dione CAS Name: 1-(octadecan-4-ylthio)-3-phenylazepane-2,7-dione IUPAC Name: 1-octadecan-4-ylsulfanyl-3-phenylazepane-2,7-dione Traditional Name: 3-phenyl-1-(1-propylpentadecylthio)azepane-2,7-quinone Formula: C30H49NO2S MolecularWeight: 487.78056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H49NO2S/c1-3-5-6-7-8-9-10-11-12-13-14-18-23-27(20-4-2)34-31-29(32)25-19-24-28(30(31)33)26-21-16-15-17-22-26/h15-17,21-22,27-28H,3-14,18-20,23-25H2,1-2H3