[7-(4-nitrophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] 4-chloranylbenzoate

Systemtic Name: [7-(4-nitrophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] 4-chloranylbenzoate Openeye Name: [7-(4-nitrophenyl)-2-thioxo-1,3-benzoxathiol-5-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [7-(4-nitrophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-nitrophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [7-(4-nitrophenyl)-2-thioxo-1,3-benzoxathiol-5-yl] ester Formula: C20H10ClNO5S2 MolecularWeight: 443.8801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=CC3=C2OC(=S)S3)OC(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=CC3=C2OC(=S)S3)OC(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H10ClNO5S2/c21-13-5-1-12(2-6-13)19(23)26-15-9-16(18-17(10-15)29-20(28)27-18)11-3-7-14(8-4-11)22(24)25/h1-10H