5,5-bis(oxidanylidene)-7-(4-sulfophenyl)dibenzothiophene-3-sulfonic acid

Systemtic Name: 5,5-bis(oxidanylidene)-7-(4-sulfophenyl)dibenzothiophene-3-sulfonic acid Openeye Name: 5,5-dioxo-7-(4-sulfophenyl)dibenzothiophene-3-sulfonic acid CAS Name: 5,5-dioxo-7-(4-sulfophenyl)-3-dibenzothiophenesulfonic acid IUPAC Name: 5,5-dioxo-7-(4-sulfophenyl)dibenzothiophene-3-sulfonic acid Traditional Name: 5,5-diketo-7-(4-sulfophenyl)dibenzothiophene-3-sulfonic acid Formula: C18H12O8S3 MolecularWeight: 452.47808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC3=C(C=C2)C4=C(S3(=O)=O)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC3=C(C=C2)C4=C(S3(=O)=O)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H12O8S3/c19-27(20)17-9-12(11-1-4-13(5-2-11)28(21,22)23)3-7-15(17)16-8-6-14(10-18(16)27)29(24,25)26/h1-10H,(H,21,22,23)(H,24,25,26)