carbonic acid; 1,3-dioxetane-2,4-dione; thioxanthen-9-one

Systemtic Name: carbonic acid; 1,3-dioxetane-2,4-dione; thioxanthen-9-one Openeye Name: carbonic acid; 1,3-dioxetane-2,4-dione; thioxanthen-9-one CAS Name: carbonic acid; 1,3-dioxetane-2,4-dione; 9-thioxanthenone IUPAC Name: carbonic acid; 1,3-dioxetane-2,4-dione; thioxanthen-9-one Traditional Name: carbonic acid; 1,3-dioxetane-2,4-quinone; thioxanthen-9-one Formula: C17H12O11S MolecularWeight: 424.33558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3S2.C1(=O)OC(=O)O1.C(=O)(O)O.C(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3S2.C1(=O)OC(=O)O1.C(=O)(O)O.C(=O)(O)O

InChI

InChI=1S/C13H8OS.C2O4.2CH2O3/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;3-1-5-2(4)6-1;2*2-1(3)4/h1-8H;;2*(H2,2,3,4)