4-(2-oxidanylidenebenzo[g][1,3]benzoxathiol-5-yl)azanidylsulfonylbenzoate

Systemtic Name: 4-(2-oxidanylidenebenzo[g][1,3]benzoxathiol-5-yl)azanidylsulfonylbenzoate Openeye Name: 4-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)azanidylsulfonylbenzoate CAS Name: 4-[(2-oxo-5-benzo[g][1,3]benzoxathiolyl)azanidylsulfonyl]benzoate IUPAC Name: 4-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)azanidylsulfonylbenzoate Traditional Name: 4-(2-ketobenzo[g][1,3]benzoxathiol-5-yl)azanidylsulfonylbenzoate Formula: C18H9NO6S2-2 MolecularWeight: 399.39716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=C2OC(=O)S3)[N-]S(=O)(=O)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC3=C2OC(=O)S3)[N-]S(=O)(=O)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C18H10NO6S2/c20-17(21)10-5-7-11(8-6-10)27(23,24)19-14-9-15-16(25-18(22)26-15)13-4-2-1-3-12(13)14/h1-9H,(H,20,21)/q-1/p-1