1,3,4-tris(oxidanyl)-5-[(E)-1-oxidanyl-3-[3,4,5-tris(oxidanyl)-6-oxidanylidene-benzo[7]annulen-1-yl]prop-2-enoxy]cyclohexane-1-carboxylic acid

Systemtic Name: 1,3,4-tris(oxidanyl)-5-[(E)-1-oxidanyl-3-[3,4,5-tris(oxidanyl)-6-oxidanylidene-benzo[7]annulen-1-yl]prop-2-enoxy]cyclohexane-1-carboxylic acid Openeye Name: 1,3,4-trihydroxy-5-[(E)-1-hydroxy-3-(3,4,5-trihydroxy-6-oxo-benzo[7]annulen-1-yl)allyloxy]cyclohexanecarboxylic acid CAS Name: 1,3,4-trihydroxy-5-[(E)-1-hydroxy-3-(3,4,5-trihydroxy-6-oxo-1-benzo[7]annulenyl)prop-2-enoxy]-1-cyclohexanecarboxylic acid IUPAC Name: 1,3,4-trihydroxy-5-[(E)-1-hydroxy-3-(3,4,5-trihydroxy-6-oxobenzo[7]annulen-1-yl)prop-2-enoxy]cyclohexane-1-carboxylic acid Traditional Name: 1,3,4-trihydroxy-5-[(E)-1-hydroxy-3-(3,4,5-trihydroxy-6-keto-benzocyclohepten-1-yl)allyloxy]cyclohexanecarboxylic acid Formula: C21H22O11 MolecularWeight: 450.39278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(CC1(C(=O)O)O)OC(C=CC2=CC(=C(C3=C(C(=O)C=CC=C23)O)O)O)O)O)O

Isomeric SMILES

C1C(C(C(CC1(C(=O)O)O)OC(/C=C/C2=CC(=C(C3=C(C(=O)C=CC=C23)O)O)O)O)O)O

InChI

InChI=1S/C21H22O11/c22-11-3-1-2-10-9(6-12(23)19(28)16(10)18(11)27)4-5-15(25)32-14-8-21(31,20(29)30)7-13(24)17(14)26/h1-6,13-15,17,23-26,28,31H,7-8H2,(H,22,27)(H,29,30)/b5-4+