4-[[2-[(1R,2R,3S,4R,5R)-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxyphenyl]methyl]benzoic acid

Systemtic Name: 4-[[2-[(1R,2R,3S,4R,5R)-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxyphenyl]methyl]benzoic acid Openeye Name: 4-[[2-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexoxy]phenyl]methyl]benzoic acid CAS Name: 4-[[2-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]methyl]benzoic acid IUPAC Name: 4-[[2-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]methyl]benzoic acid Traditional Name: 4-[2-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-methylol-cyclohexoxy]benzyl]benzoic acid Formula: C21H24O7 MolecularWeight: 388.41106

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1OC2=CC=CC=C2CC3=CC=C(C=C3)C(=O)O)O)O)O)CO

Isomeric SMILES

C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC2=CC=CC=C2CC3=CC=C(C=C3)C(=O)O)O)O)O)CO

InChI

InChI=1S/C21H24O7/c22-11-15-10-17(19(24)20(25)18(15)23)28-16-4-2-1-3-14(16)9-12-5-7-13(8-6-12)21(26)27/h1-8,15,17-20,22-25H,9-11H2,(H,26,27)/t15-,17-,18-,19+,20+/m1/s1