[4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] 2-phenylethanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] 2-phenylethanoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] 2-phenylacetate CAS Name: 2-phenylacetic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] ester Formula: C18H17NO5S2 MolecularWeight: 391.46128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC(=O)CC2=CC=CC=C2)[N+](=O)[O-])C3SCCS3

Isomeric SMILES

COC1=CC(=CC(=C1OC(=O)CC2=CC=CC=C2)[N+](=O)[O-])C3SCCS3

InChI

InChI=1S/C18H17NO5S2/c1-23-15-11-13(18-25-7-8-26-18)10-14(19(21)22)17(15)24-16(20)9-12-5-3-2-4-6-12/h2-6,10-11,18H,7-9H2,1H3