1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate; xanthen-9-one

Systemtic Name: 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate; xanthen-9-one Openeye Name: 1,1-dioxo-1,2-benzothiazol-3-olate; xanthen-9-one CAS Name: 1,1-dioxo-1,2-benzothiazol-3-olate; 9-xanthenone IUPAC Name: 1,1-dioxo-1,2-benzothiazol-3-olate; xanthen-9-one Traditional Name: 1,1-diketo-1,2-benzothiazol-3-olate; xanthone Formula: C20H12NO5S- MolecularWeight: 378.37798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-]

InChI

InChI=1S/C13H8O2.C7H5NO3S/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-8H;1-4H,(H,8,9)/p-1