[6-(2-chloroethylamino)-5,8-bis(oxidanylidene)naphthalen-1-yl] methanesulfonate

Systemtic Name: [6-(2-chloroethylamino)-5,8-bis(oxidanylidene)naphthalen-1-yl] methanesulfonate Openeye Name: [6-(2-chloroethylamino)-5,8-dioxo-1-naphthyl] methanesulfonate CAS Name: methanesulfonic acid [6-(2-chloroethylamino)-5,8-dioxo-1-naphthalenyl] ester IUPAC Name: [6-(2-chloroethylamino)-5,8-dioxonaphthalen-1-yl] methanesulfonate Traditional Name: methanesulfonic acid [6-(2-chloroethylamino)-5,8-diketo-1-naphthyl] ester Formula: C13H12ClNO5S MolecularWeight: 329.75608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=CC2=C1C(=O)C=C(C2=O)NCCCl

Isomeric SMILES

CS(=O)(=O)OC1=CC=CC2=C1C(=O)C=C(C2=O)NCCCl

InChI

InChI=1S/C13H12ClNO5S/c1-21(18,19)20-11-4-2-3-8-12(11)10(16)7-9(13(8)17)15-6-5-14/h2-4,7,15H,5-6H2,1H3