4-methyl-2-[3-[4-(4-nitrophenyl)carbonylphenoxy]propyl]-3-oxidanyl-benzenesulfonic acid

Systemtic Name: 4-methyl-2-[3-[4-(4-nitrophenyl)carbonylphenoxy]propyl]-3-oxidanyl-benzenesulfonic acid Openeye Name: 3-hydroxy-4-methyl-2-[3-[4-(4-nitrobenzoyl)phenoxy]propyl]benzenesulfonic acid CAS Name: 3-hydroxy-4-methyl-2-[3-[4-[(4-nitrophenyl)-oxomethyl]phenoxy]propyl]benzenesulfonic acid IUPAC Name: 3-hydroxy-4-methyl-2-[3-[4-(4-nitrobenzoyl)phenoxy]propyl]benzenesulfonic acid Traditional Name: 3-hydroxy-4-methyl-2-[3-[4-(4-nitrobenzoyl)phenoxy]propyl]besylic acid Formula: C23H21NO8S MolecularWeight: 471.47974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)O)CCCOC2=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)O)CCCOC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C23H21NO8S/c1-15-4-13-21(33(29,30)31)20(22(15)25)3-2-14-32-19-11-7-17(8-12-19)23(26)16-5-9-18(10-6-16)24(27)28/h4-13,25H,2-3,14H2,1H3,(H,29,30,31)