benzo[f][1]benzothiol-4-yl 2-methoxy-4-nitro-benzenesulfonate

Systemtic Name: benzo[f][1]benzothiol-4-yl 2-methoxy-4-nitro-benzenesulfonate Openeye Name: benzo[f]benzothiophen-4-yl 2-methoxy-4-nitro-benzenesulfonate CAS Name: 2-methoxy-4-nitrobenzenesulfonic acid 4-benzo[f][1]benzothiolyl ester IUPAC Name: benzo[f][1]benzothiol-4-yl 2-methoxy-4-nitrobenzenesulfonate Traditional Name: 2-methoxy-4-nitro-benzenesulfonic acid benzo[f]benzothiophen-4-yl ester Formula: C19H13NO6S2 MolecularWeight: 415.43962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)OC2=C3C=CSC3=CC4=CC=CC=C42

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)OC2=C3C=CSC3=CC4=CC=CC=C42

InChI

InChI=1S/C19H13NO6S2/c1-25-16-11-13(20(21)22)6-7-18(16)28(23,24)26-19-14-5-3-2-4-12(14)10-17-15(19)8-9-27-17/h2-11H,1H3