(4-methylphenyl) 7,8-diazido-5,6-bis(oxidanylidene)naphthalene-1-sulfonate

Systemtic Name: (4-methylphenyl) 7,8-diazido-5,6-bis(oxidanylidene)naphthalene-1-sulfonate Openeye Name: p-tolyl 7,8-diazido-5,6-dioxo-naphthalene-1-sulfonate CAS Name: 7,8-diazido-5,6-dioxo-1-naphthalenesulfonic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 7,8-diazido-5,6-dioxonaphthalene-1-sulfonate Traditional Name: 7,8-diazido-5,6-diketo-naphthalene-1-sulfonic acid p-tolyl ester Formula: C17H10N6O5S MolecularWeight: 410.3635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C(=C(C(=O)C3=O)N=[N+]=[N-])N=[N+]=[N-]

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C(=C(C(=O)C3=O)N=[N+]=[N-])N=[N+]=[N-]

InChI

InChI=1S/C17H10N6O5S/c1-9-5-7-10(8-6-9)28-29(26,27)12-4-2-3-11-13(12)14(20-22-18)15(21-23-19)17(25)16(11)24/h2-8H,1H3