3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1-sulfonic acid; 1,2-diphenylbenzene

Systemtic Name: 3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1-sulfonic acid; 1,2-diphenylbenzene Openeye Name: 3,6-dioxocyclohexa-1,4-diene-1-sulfonic acid; 1,2-diphenylbenzene CAS Name: 3,6-dioxo-1-cyclohexa-1,4-dienesulfonic acid; 1,2-diphenylbenzene IUPAC Name: 3,6-dioxocyclohexa-1,4-diene-1-sulfonic acid; 1,2-diphenylbenzene Traditional Name: 3,6-diketocyclohexa-1,4-diene-1-sulfonic acid; 1,2-diphenylbenzene Formula: C36H26O15S3 MolecularWeight: 794.77764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3.C1=CC(=O)C(=CC1=O)S(=O)(=O)O.C1=CC(=O)C(=CC1=O)S(=O)(=O)O.C1=CC(=O)C(=CC1=O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3.C1=CC(=O)C(=CC1=O)S(=O)(=O)O.C1=CC(=O)C(=CC1=O)S(=O)(=O)O.C1=CC(=O)C(=CC1=O)S(=O)(=O)O

InChI

InChI=1S/C18H14.3C6H4O5S/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16;3*7-4-1-2-5(8)6(3-4)12(9,10)11/h1-14H;3*1-3H,(H,9,10,11)