(3R,4S,5R)-3,4,5-tris[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4S,5R)-3,4,5-tris[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]cyclohexene-1-carboxylic acid Openeye Name: (3R,4S,5R)-3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid CAS Name: (3R,4S,5R)-3,4,5-tris[oxo-(3,4,5-trihydroxyphenyl)methoxy]-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4S,5R)-3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid Traditional Name: (3R,4S,5R)-3,4,5-trigalloyloxycyclohexene-1-carboxylic acid Formula: C28H22O17 MolecularWeight: 630.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C=C1C(=O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

Isomeric SMILES

C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

InChI

InChI=1S/C28H22O17/c29-13-1-10(2-14(30)21(13)35)26(40)43-19-7-9(25(38)39)8-20(44-27(41)11-3-15(31)22(36)16(32)4-11)24(19)45-28(42)12-5-17(33)23(37)18(34)6-12/h1-7,19-20,24,29-37H,8H2,(H,38,39)/t19-,20-,24-/m1/s1