[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C17H14ClNO5S2 MolecularWeight: 411.87976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClNO5S2/c1-23-15-8-10(17-25-6-7-26-17)2-5-14(15)24-16(20)12-4-3-11(19(21)22)9-13(12)18/h2-5,8-9,17H,6-7H2,1H3