[2-[(4-carboxy-2-methoxy-phenyl)methoxy]-4,5-dimethyl-phenyl]-propan-2-yl-sulfonyl-azanium; 2-methylfuran

Systemtic Name: [2-[(4-carboxy-2-methoxy-phenyl)methoxy]-4,5-dimethyl-phenyl]-propan-2-yl-sulfonyl-azanium; 2-methylfuran Openeye Name: [2-[(4-carboxy-2-methoxy-phenyl)methoxy]-4,5-dimethyl-phenyl]-isopropyl-sulfonyl-ammonium; 2-methylfuran CAS Name: [2-[(4-carboxy-2-methoxyphenyl)methoxy]-4,5-dimethylphenyl]-propan-2-yl-sulfonylammonium; 2-methylfuran IUPAC Name: [2-[(4-carboxy-2-methoxyphenyl)methoxy]-4,5-dimethylphenyl]-propan-2-yl-sulfonylazanium; 2-methylfuran Traditional Name: [2-(4-carboxy-2-methoxy-benzyl)oxy-4,5-dimethyl-phenyl]-isopropyl-sulfonyl-ammonium; 2-methylfuran Formula: C25H30NO7S+ MolecularWeight: 488.5732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CO1.CC1=CC(=C(C=C1C)OCC2=C(C=C(C=C2)C(=O)O)OC)[N+](=S(=O)=O)C(C)C

Isomeric SMILES

CC1=CC=CO1.CC1=CC(=C(C=C1C)OCC2=C(C=C(C=C2)C(=O)O)OC)[N+](=S(=O)=O)C(C)C

InChI

InChI=1S/C20H23NO6S.C5H6O/c1-12(2)21(28(24)25)17-8-13(3)14(4)9-19(17)27-11-16-7-6-15(20(22)23)10-18(16)26-5;1-5-3-2-4-6-5/h6-10,12H,11H2,1-5H3;2-4H,1H3/p+1