(2-methoxy-5-nitro-phenyl) 4-(2-methylpropyl)benzenesulfonate

Systemtic Name: (2-methoxy-5-nitro-phenyl) 4-(2-methylpropyl)benzenesulfonate Openeye Name: (2-methoxy-5-nitro-phenyl) 4-isobutylbenzenesulfonate CAS Name: 4-(2-methylpropyl)benzenesulfonic acid (2-methoxy-5-nitrophenyl) ester IUPAC Name: (2-methoxy-5-nitrophenyl) 4-(2-methylpropyl)benzenesulfonate Traditional Name: 4-isobutylbenzenesulfonic acid (2-methoxy-5-nitro-phenyl) ester Formula: C17H19NO6S MolecularWeight: 365.40086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

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