(4-nitrophenyl)methyl 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: (4-nitrophenyl)methyl 4-(1,3-dithian-2-yl)benzoate Openeye Name: (4-nitrophenyl)methyl 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid (4-nitrobenzyl) ester Formula: C18H17NO4S2 MolecularWeight: 375.46188

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO4S2/c20-17(23-12-13-2-8-16(9-3-13)19(21)22)14-4-6-15(7-5-14)18-24-10-1-11-25-18/h2-9,18H,1,10-12H2