[4-[(4-methoxyphenoxy)methyl]-2,6-dinitro-phenyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-[(4-methoxyphenoxy)methyl]-2,6-dinitro-phenyl]methyl 4-methylbenzenesulfonate Openeye Name: [4-[(4-methoxyphenoxy)methyl]-2,6-dinitro-phenyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(4-methoxyphenoxy)methyl]-2,6-dinitrophenyl]methyl ester IUPAC Name: [4-[(4-methoxyphenoxy)methyl]-2,6-dinitrophenyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(4-methoxyphenoxy)methyl]-2,6-dinitro-benzyl] ester Formula: C22H20N2O9S MolecularWeight: 488.4672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=C(C=C2[N+](=O)[O-])COC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=C(C=C2[N+](=O)[O-])COC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O9S/c1-15-3-9-19(10-4-15)34(29,30)33-14-20-21(23(25)26)11-16(12-22(20)24(27)28)13-32-18-7-5-17(31-2)6-8-18/h3-12H,13-14H2,1-2H3