azane; 5-[[3-carboxy-5-[1-(furan-2-yl)ethyl]-4-oxidanyl-phenyl]-(furan-2-yl)methyl]-3-methyl-2-oxidanyl-benzoic acid

Systemtic Name: azane; 5-[[3-carboxy-5-[1-(furan-2-yl)ethyl]-4-oxidanyl-phenyl]-(furan-2-yl)methyl]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: ammonia; 5-[[3-carboxy-5-[1-(2-furyl)ethyl]-4-hydroxy-phenyl]-(2-furyl)methyl]-2-hydroxy-3-methyl-benzoic acid CAS Name: ammonia; 5-[[3-carboxy-5-[1-(2-furanyl)ethyl]-4-hydroxyphenyl]-(2-furanyl)methyl]-2-hydroxy-3-methylbenzoic acid IUPAC Name: azane; 5-[[3-carboxy-5-[1-(furan-2-yl)ethyl]-4-hydroxyphenyl]-(furan-2-yl)methyl]-2-hydroxy-3-methylbenzoic acid Traditional Name: ammonia; 5-[[3-carboxy-5-[1-(2-furyl)ethyl]-4-hydroxy-phenyl]-(2-furyl)methyl]-2-hydroxy-3-methyl-benzoic acid Formula: C26H25NO8 MolecularWeight: 479.4786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C2=CC=CO2)C3=CC(=C(C(=C3)C(=O)O)O)C(C)C4=CC=CO4)C(=O)O)O.N

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C2=CC=CO2)C3=CC(=C(C(=C3)C(=O)O)O)C(C)C4=CC=CO4)C(=O)O)O.N

InChI

InChI=1S/C26H22O8.H3N/c1-13-9-15(11-18(23(13)27)25(29)30)22(21-6-4-8-34-21)16-10-17(14(2)20-5-3-7-33-20)24(28)19(12-16)26(31)32;/h3-12,14,22,27-28H,1-2H3,(H,29,30)(H,31,32);1H3