[6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] thiophene-2-sulfonate

Systemtic Name: [6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] thiophene-2-sulfonate Openeye Name: [6,7-bis(aziridin-1-yl)-5,8-dioxo-1-naphthyl] thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid [6,7-bis(1-aziridinyl)-5,8-dioxo-1-naphthalenyl] ester IUPAC Name: [6,7-bis(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid (6,7-diethylenimino-5,8-diketo-1-naphthyl) ester Formula: C18H14N2O5S2 MolecularWeight: 402.44416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3OS(=O)(=O)C4=CC=CS4)N5CC5

Isomeric SMILES

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3OS(=O)(=O)C4=CC=CS4)N5CC5

InChI

InChI=1S/C18H14N2O5S2/c21-17-11-3-1-4-12(25-27(23,24)13-5-2-10-26-13)14(11)18(22)16(20-8-9-20)15(17)19-6-7-19/h1-5,10H,6-9H2