[4-[[3-(benzotriazol-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]phenyl] benzenesulfonate

Systemtic Name: [4-[[3-(benzotriazol-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]phenyl] benzenesulfonate Openeye Name: [4-[[3-(benzotriazol-1-yl)-1,4-dioxo-2-naphthyl]amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[[3-(1-benzotriazolyl)-1,4-dioxo-2-naphthalenyl]amino]phenyl] ester IUPAC Name: [4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[[3-(benzotriazol-1-yl)-1,4-diketo-2-naphthyl]amino]phenyl] ester Formula: C28H18N4O5S MolecularWeight: 522.53132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)NC3=C(C(=O)C4=CC=CC=C4C3=O)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)NC3=C(C(=O)C4=CC=CC=C4C3=O)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C28H18N4O5S/c33-27-21-10-4-5-11-22(21)28(34)26(32-24-13-7-6-12-23(24)30-31-32)25(27)29-18-14-16-19(17-15-18)37-38(35,36)20-8-2-1-3-9-20/h1-17,29H