[6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 3-chloranylpropane-1-sulfonate

Systemtic Name: [6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 3-chloranylpropane-1-sulfonate Openeye Name: [6,7-bis(aziridin-1-yl)-5,8-dioxo-1-naphthyl] 3-chloropropane-1-sulfonate CAS Name: 3-chloro-1-propanesulfonic acid IUPAC Name: [6,7-bis(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] 3-chloropropane-1-sulfonate Traditional Name: 3-chloropropane-1-sulfonic acid (6,7-diethylenimino-5,8-diketo-1-naphthyl) ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3OS(=O)(=O)CCCCl)N4CC4

Isomeric SMILES

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3OS(=O)(=O)CCCCl)N4CC4

InChI

InChI=1S/C17H17ClN2O5S/c18-5-2-10-26(23,24)25-12-4-1-3-11-13(12)17(22)15(20-8-9-20)14(16(11)21)19-6-7-19/h1,3-4H,2,5-10H2