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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-methyl-4-nitro-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C17H15NO4S2 MolecularWeight: 361.4353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)C3SCCS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)C3SCCS3)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO4S2/c1-11-10-13(4-7-15(11)18(20)21)16(19)22-14-5-2-12(3-6-14)17-23-8-9-24-17/h2-7,10,17H,8-9H2,1H3