[6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] butane-1-sulfonate

Systemtic Name: [6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] butane-1-sulfonate Openeye Name: [6,7-bis(aziridin-1-yl)-5,8-dioxo-1-naphthyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [6,7-bis(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid (6,7-diethylenimino-5,8-diketo-1-naphthyl) ester Formula: C18H20N2O5S MolecularWeight: 376.4268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC=CC2=C1C(=O)C(=C(C2=O)N3CC3)N4CC4

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC=CC2=C1C(=O)C(=C(C2=O)N3CC3)N4CC4

InChI

InChI=1S/C18H20N2O5S/c1-2-3-11-26(23,24)25-13-6-4-5-12-14(13)18(22)16(20-9-10-20)15(17(12)21)19-7-8-19/h4-6H,2-3,7-11H2,1H3