2-methyl-2-[3-[[5-(4-nitrophenyl)furan-2-yl]methoxy]phenyl]sulfanyl-propanoic acid

Systemtic Name: 2-methyl-2-[3-[[5-(4-nitrophenyl)furan-2-yl]methoxy]phenyl]sulfanyl-propanoic acid Openeye Name: 2-methyl-2-[3-[[5-(4-nitrophenyl)-2-furyl]methoxy]phenyl]sulfanyl-propanoic acid CAS Name: 2-methyl-2-[[3-[[5-(4-nitrophenyl)-2-furanyl]methoxy]phenyl]thio]propanoic acid IUPAC Name: 2-methyl-2-[3-[[5-(4-nitrophenyl)furan-2-yl]methoxy]phenyl]sulfanylpropanoic acid Traditional Name: 2-methyl-2-[[3-[[5-(4-nitrophenyl)-2-furyl]methoxy]phenyl]thio]propionic acid Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC1=CC=CC(=C1)OCC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)O)SC1=CC=CC(=C1)OCC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19NO6S/c1-21(2,20(23)24)29-18-5-3-4-16(12-18)27-13-17-10-11-19(28-17)14-6-8-15(9-7-14)22(25)26/h3-12H,13H2,1-2H3,(H,23,24)