[6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 4-chloranylbenzenesulfonate

Systemtic Name: [6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 4-chloranylbenzenesulfonate Openeye Name: [6,7-bis(aziridin-1-yl)-5,8-dioxo-1-naphthyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic 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] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid (6,7-diethylenimino-5,8-diketo-1-naphthyl) ester Formula: C20H15ClN2O5S MolecularWeight: 430.8615

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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=C(C=C4)Cl)N5CC5

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN2O5S/c21-12-4-6-13(7-5-12)29(26,27)28-15-3-1-2-14-16(15)20(25)18(23-10-11-23)17(19(14)24)22-8-9-22/h1-7H,8-11H2