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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-nitrobenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 2-nitrobenzoate Traditional Name: 2-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/c1-22-15-10-11(17-24-8-9-25-17)6-7-14(15)23-16(19)12-4-2-3-5-13(12)18(20)21/h2-7,10,17H,8-9H2,1H3