[2-[(4-carboxy-2-methoxy-phenyl)methoxy]-5-chloranyl-4-methyl-phenyl]-propan-2-yl-sulfonyl-azanium

Systemtic Name: [2-[(4-carboxy-2-methoxy-phenyl)methoxy]-5-chloranyl-4-methyl-phenyl]-propan-2-yl-sulfonyl-azanium Openeye Name: [2-[(4-carboxy-2-methoxy-phenyl)methoxy]-5-chloro-4-methyl-phenyl]-isopropyl-sulfonyl-ammonium CAS Name: [2-[(4-carboxy-2-methoxyphenyl)methoxy]-5-chloro-4-methylphenyl]-propan-2-yl-sulfonylammonium IUPAC Name: [2-[(4-carboxy-2-methoxyphenyl)methoxy]-5-chloro-4-methylphenyl]-propan-2-yl-sulfonylazanium Traditional Name: [2-(4-carboxy-2-methoxy-benzyl)oxy-5-chloro-4-methyl-phenyl]-isopropyl-sulfonyl-ammonium Formula: C19H21ClNO6S+ MolecularWeight: 426.89114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)[N+](=S(=O)=O)C(C)C)OCC2=C(C=C(C=C2)C(=O)O)OC

Isomeric SMILES

CC1=CC(=C(C=C1Cl)[N+](=S(=O)=O)C(C)C)OCC2=C(C=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C19H20ClNO6S/c1-11(2)21(28(24)25)16-9-15(20)12(3)7-18(16)27-10-14-6-5-13(19(22)23)8-17(14)26-4/h5-9,11H,10H2,1-4H3/p+1