[bis[2-(2-nitrophenoxy)ethyl]amino] 4-methylbenzenesulfonate

Systemtic Name: [bis[2-(2-nitrophenoxy)ethyl]amino] 4-methylbenzenesulfonate Openeye Name: [bis[2-(2-nitrophenoxy)ethyl]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [bis[2-(2-nitrophenoxy)ethyl]amino] ester IUPAC Name: [bis[2-(2-nitrophenoxy)ethyl]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [bis[2-(2-nitrophenoxy)ethyl]amino] ester Formula: C23H23N3O9S MolecularWeight: 517.50842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON(CCOC2=CC=CC=C2[N+](=O)[O-])CCOC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON(CCOC2=CC=CC=C2[N+](=O)[O-])CCOC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O9S/c1-18-10-12-19(13-11-18)36(31,32)35-24(14-16-33-22-8-4-2-6-20(22)25(27)28)15-17-34-23-9-5-3-7-21(23)26(29)30/h2-13H,14-17H2,1H3