3-[4-(4-nitrophenyl)carbonylphenoxy]propyl 4-methyl-3-oxidanyl-benzenesulfonate

Systemtic Name: 3-[4-(4-nitrophenyl)carbonylphenoxy]propyl 4-methyl-3-oxidanyl-benzenesulfonate Openeye Name: 3-[4-(4-nitrobenzoyl)phenoxy]propyl 3-hydroxy-4-methyl-benzenesulfonate CAS Name: 3-hydroxy-4-methylbenzenesulfonic acid 3-[4-[(4-nitrophenyl)-oxomethyl]phenoxy]propyl ester IUPAC Name: 3-[4-(4-nitrobenzoyl)phenoxy]propyl 3-hydroxy-4-methylbenzenesulfonate Traditional Name: 3-hydroxy-4-methyl-benzenesulfonic acid 3-[4-(4-nitrobenzoyl)phenoxy]propyl ester Formula: C23H21NO8S MolecularWeight: 471.47974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OCCCOC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OCCCOC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C23H21NO8S/c1-16-3-12-21(15-22(16)25)33(29,30)32-14-2-13-31-20-10-6-18(7-11-20)23(26)17-4-8-19(9-5-17)24(27)28/h3-12,15,25H,2,13-14H2,1H3