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

Systemtic Name: [6-(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 4-methylbenzenesulfonate Openeye Name: [6-(aziridin-1-yl)-5,8-dioxo-1-naphthyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-(1-aziridinyl)-5,8-dioxo-1-naphthalenyl] ester IUPAC Name: [6-(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-ethylenimino-5,8-diketo-1-naphthyl) ester Formula: C19H15NO5S MolecularWeight: 369.3911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2C(=O)C=C(C3=O)N4CC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2C(=O)C=C(C3=O)N4CC4

InChI

InChI=1S/C19H15NO5S/c1-12-5-7-13(8-6-12)26(23,24)25-17-4-2-3-14-18(17)16(21)11-15(19(14)22)20-9-10-20/h2-8,11H,9-10H2,1H3