[2-[(4-carboxy-2-methyl-phenyl)methoxy]-4,5-dimethyl-phenyl]-(2-methyl-2-oxidanyl-propyl)-sulfonyl-azanium

Systemtic Name: [2-[(4-carboxy-2-methyl-phenyl)methoxy]-4,5-dimethyl-phenyl]-(2-methyl-2-oxidanyl-propyl)-sulfonyl-azanium Openeye Name: [2-[(4-carboxy-2-methyl-phenyl)methoxy]-4,5-dimethyl-phenyl]-(2-hydroxy-2-methyl-propyl)-sulfonyl-ammonium CAS Name: [2-[(4-carboxy-2-methylphenyl)methoxy]-4,5-dimethylphenyl]-(2-hydroxy-2-methylpropyl)-sulfonylammonium IUPAC Name: [2-[(4-carboxy-2-methylphenyl)methoxy]-4,5-dimethylphenyl]-(2-hydroxy-2-methylpropyl)-sulfonylazanium Traditional Name: [2-(4-carboxy-2-methyl-benzyl)oxy-4,5-dimethyl-phenyl]-(2-hydroxy-2-methyl-propyl)-sulfonyl-ammonium Formula: C21H26NO6S+ MolecularWeight: 420.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)OCC2=C(C=C(C=C2)C(=O)O)C)[N+](=S(=O)=O)CC(C)(C)O

Isomeric SMILES

CC1=CC(=C(C=C1C)OCC2=C(C=C(C=C2)C(=O)O)C)[N+](=S(=O)=O)CC(C)(C)O

InChI

InChI=1S/C21H25NO6S/c1-13-9-18(22(29(26)27)12-21(4,5)25)19(10-14(13)2)28-11-17-7-6-16(20(23)24)8-15(17)3/h6-10,25H,11-12H2,1-5H3/p+1