[2-oxidanyl-5-[3,5,7-tris(oxidanyl)-4-oxidanylidene-chromen-2-yl]phenyl] 6-azanylhexanoate

Systemtic Name: [2-oxidanyl-5-[3,5,7-tris(oxidanyl)-4-oxidanylidene-chromen-2-yl]phenyl] 6-azanylhexanoate Openeye Name: [2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-chromen-2-yl)phenyl] 6-aminohexanoate CAS Name: 6-aminohexanoic acid [2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-1-benzopyran-2-yl)phenyl] ester IUPAC Name: [2-hydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenyl] 6-aminohexanoate Traditional Name: 6-aminohexanoic acid [2-hydroxy-5-(3,5,7-trihydroxy-4-keto-chromen-2-yl)phenyl] ester Formula: C21H21NO8 MolecularWeight: 415.39334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OC(=O)CCCCCN)O

Isomeric SMILES

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OC(=O)CCCCCN)O

InChI

InChI=1S/C21H21NO8/c22-7-3-1-2-4-17(26)29-15-8-11(5-6-13(15)24)21-20(28)19(27)18-14(25)9-12(23)10-16(18)30-21/h5-6,8-10,23-25,28H,1-4,7,22H2