[4-(1,3-dithiolan-2-yl)phenyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C17H15NO4S3 MolecularWeight: 393.5003

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3SCCS3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3SCCS3)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO4S3/c1-23-15-7-4-12(10-14(15)18(20)21)16(19)22-13-5-2-11(3-6-13)17-24-8-9-25-17/h2-7,10,17H,8-9H2,1H3