[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-nitrobenzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-nitrobenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C17H15NO5S2 MolecularWeight: 377.4347

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO5S2/c1-22-15-10-12(17-24-7-8-25-17)5-6-14(15)23-16(19)11-3-2-4-13(9-11)18(20)21/h2-6,9-10,17H,7-8H2,1H3