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

Systemtic Name: [6-(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] thiophene-2-sulfonate Openeye Name: [6-(aziridin-1-yl)-5,8-dioxo-1-naphthyl] thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid [6-(1-aziridinyl)-5,8-dioxo-1-naphthalenyl] ester IUPAC Name: [6-(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid (6-ethylenimino-5,8-diketo-1-naphthyl) ester Formula: C16H11NO5S2 MolecularWeight: 361.39224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO5S2/c18-12-9-11(17-6-7-17)16(19)10-3-1-4-13(15(10)12)22-24(20,21)14-5-2-8-23-14/h1-5,8-9H,6-7H2