[(1R)-1-(3-nitrophenyl)ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C18H17NO4S2 MolecularWeight: 375.46188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C18H17NO4S2/c1-12(15-3-2-4-16(11-15)19(21)22)23-17(20)13-5-7-14(8-6-13)18-24-9-10-25-18/h2-8,11-12,18H,9-10H2,1H3/t12-/m1/s1