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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] 4-tert-butylbenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic 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-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] ester Formula: C21H23NO5S2 MolecularWeight: 433.54102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S2/c1-21(2,3)15-7-5-13(6-8-15)19(23)27-18-16(22(24)25)11-14(12-17(18)26-4)20-28-9-10-29-20/h5-8,11-12,20H,9-10H2,1-4H3