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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] 4-methylbenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic 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:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2OC)C3SCCS3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2OC)C3SCCS3)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO5S2/c1-11-3-5-12(6-4-11)17(20)24-16-14(19(21)22)9-13(10-15(16)23-2)18-25-7-8-26-18/h3-6,9-10,18H,7-8H2,1-2H3