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

Systemtic Name: 1-dodecan-4-ylsulfanyl-3-phenyl-azepane-2,7-dione Openeye Name: 3-phenyl-1-(1-propylnonylsulfanyl)azepane-2,7-dione CAS Name: 1-(dodecan-4-ylthio)-3-phenylazepane-2,7-dione IUPAC Name: 1-dodecan-4-ylsulfanyl-3-phenylazepane-2,7-dione Traditional Name: 3-phenyl-1-(1-propylnonylthio)azepane-2,7-quinone Formula: C24H37NO2S MolecularWeight: 403.62108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H37NO2S/c1-3-5-6-7-8-12-17-21(14-4-2)28-25-23(26)19-13-18-22(24(25)27)20-15-10-9-11-16-20/h9-11,15-16,21-22H,3-8,12-14,17-19H2,1-2H3