[2,3,4-tris(oxidanyl)naphthalen-1-yl] 1,4-bis(oxidanylidene)naphthalene-2-sulfonate

Systemtic Name: [2,3,4-tris(oxidanyl)naphthalen-1-yl] 1,4-bis(oxidanylidene)naphthalene-2-sulfonate Openeye Name: (2,3,4-trihydroxy-1-naphthyl) 1,4-dioxonaphthalene-2-sulfonate CAS Name: 1,4-dioxo-2-naphthalenesulfonic acid (2,3,4-trihydroxy-1-naphthalenyl) ester IUPAC Name: (2,3,4-trihydroxynaphthalen-1-yl) 1,4-dioxonaphthalene-2-sulfonate Traditional Name: 1,4-diketonaphthalene-2-sulfonic acid (2,3,4-trihydroxy-1-naphthyl) ester Formula: C20H12O8S MolecularWeight: 412.36948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=C(C2=O)S(=O)(=O)OC3=C(C(=C(C4=CC=CC=C43)O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=C(C2=O)S(=O)(=O)OC3=C(C(=C(C4=CC=CC=C43)O)O)O

InChI

InChI=1S/C20H12O8S/c21-14-9-15(16(22)11-6-2-1-5-10(11)14)29(26,27)28-20-13-8-4-3-7-12(13)17(23)18(24)19(20)25/h1-9,23-25H