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

Systemtic Name: [7-(4-nitrophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] benzoate Openeye Name: [7-(4-nitrophenyl)-2-thioxo-1,3-benzoxathiol-5-yl] benzoate CAS Name: benzoic acid [7-(4-nitrophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-nitrophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] benzoate Traditional Name: benzoic acid [7-(4-nitrophenyl)-2-thioxo-1,3-benzoxathiol-5-yl] ester Formula: C20H11NO5S2 MolecularWeight: 409.43504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)[N+](=O)[O-])OC(=S)S3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)[N+](=O)[O-])OC(=S)S3

InChI

InChI=1S/C20H11NO5S2/c22-19(13-4-2-1-3-5-13)25-15-10-16(18-17(11-15)28-20(27)26-18)12-6-8-14(9-7-12)21(23)24/h1-11H