(6-methanoyl-2-methoxy-3-nitro-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (6-methanoyl-2-methoxy-3-nitro-phenyl) 4-methylbenzenesulfonate Openeye Name: (6-formyl-2-methoxy-3-nitro-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-formyl-2-methoxy-3-nitrophenyl) ester IUPAC Name: (6-formyl-2-methoxy-3-nitrophenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-formyl-2-methoxy-3-nitro-phenyl) ester Formula: C15H13NO7S MolecularWeight: 351.33122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2OC)[N+](=O)[O-])C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2OC)[N+](=O)[O-])C=O

InChI

InChI=1S/C15H13NO7S/c1-10-3-6-12(7-4-10)24(20,21)23-14-11(9-17)5-8-13(16(18)19)15(14)22-2/h3-9H,1-2H3