[2,2-bis(chloranyl)-4,5-dihydro-3H-1-benzothiepin-5-yl] 4-nitrobenzoate

Systemtic Name: [2,2-bis(chloranyl)-4,5-dihydro-3H-1-benzothiepin-5-yl] 4-nitrobenzoate Openeye Name: (2,2-dichloro-4,5-dihydro-3H-1-benzothiepin-5-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (2,2-dichloro-4,5-dihydro-3H-1-benzothiepin-5-yl) ester IUPAC Name: (2,2-dichloro-4,5-dihydro-3H-1-benzothiepin-5-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2,2-dichloro-4,5-dihydro-3H-1-benzothiepin-5-yl) ester Formula: C17H13Cl2NO4S MolecularWeight: 398.26042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(SC2=CC=CC=C2C1OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])(Cl)Cl

Isomeric SMILES

C1CC(SC2=CC=CC=C2C1OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])(Cl)Cl

InChI

InChI=1S/C17H13Cl2NO4S/c18-17(19)10-9-14(13-3-1-2-4-15(13)25-17)24-16(21)11-5-7-12(8-6-11)20(22)23/h1-8,14H,9-10H2