2-(2,6-dimethyl-4-nitro-phenoxy)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(2,6-dimethyl-4-nitro-phenoxy)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(2,6-dimethyl-4-nitro-phenoxy)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(2,6-dimethyl-4-nitrophenoxy)ethyl ester IUPAC Name: 2-(2,6-dimethyl-4-nitrophenoxy)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(2,6-dimethyl-4-nitro-phenoxy)ethyl ester Formula: C17H19NO6S MolecularWeight: 365.40086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=C(C=C(C=C2C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=C(C=C(C=C2C)[N+](=O)[O-])C

InChI

InChI=1S/C17H19NO6S/c1-12-4-6-16(7-5-12)25(21,22)24-9-8-23-17-13(2)10-15(18(19)20)11-14(17)3/h4-7,10-11H,8-9H2,1-3H3