1,3-bis(oxidanylidene)isoindole-5-carboxylic acid; phenylsulfinylbenzene

Systemtic Name: 1,3-bis(oxidanylidene)isoindole-5-carboxylic acid; phenylsulfinylbenzene Openeye Name: benzenesulfinylbenzene; 1,3-dioxoisoindoline-5-carboxylic acid CAS Name: benzenesulfinylbenzene; 1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: benzenesulfinylbenzene; 1,3-dioxoisoindole-5-carboxylic acid Traditional Name: benzenesulfinylbenzene; 1,3-diketoisoindoline-5-carboxylic acid Formula: C30H20N2O9S MolecularWeight: 584.5528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)C2=CC=CC=C2.C1=CC2=C(C=C1C(=O)O)C(=O)NC2=O.C1=CC2=C(C=C1C(=O)O)C(=O)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)C2=CC=CC=C2.C1=CC2=C(C=C1C(=O)O)C(=O)NC2=O.C1=CC2=C(C=C1C(=O)O)C(=O)NC2=O

InChI

InChI=1S/C12H10OS.2C9H5NO4/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*11-7-5-2-1-4(9(13)14)3-6(5)8(12)10-7/h1-10H;2*1-3H,(H,13,14)(H,10,11,12)