4,4-bis[3,5-bis(hydroxymethyl)-4-oxidanyl-phenyl]pentanoic acid

Systemtic Name: 4,4-bis[3,5-bis(hydroxymethyl)-4-oxidanyl-phenyl]pentanoic acid Openeye Name: 4,4-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]pentanoic acid CAS Name: 4,4-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]pentanoic acid IUPAC Name: 4,4-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]pentanoic acid Traditional Name: 4,4-bis(4-hydroxy-3,5-dimethylol-phenyl)valeric acid Formula: C21H26O8 MolecularWeight: 406.42634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)(C1=CC(=C(C(=C1)CO)O)CO)C2=CC(=C(C(=C2)CO)O)CO

Isomeric SMILES

CC(CCC(=O)O)(C1=CC(=C(C(=C1)CO)O)CO)C2=CC(=C(C(=C2)CO)O)CO

InChI

InChI=1S/C21H26O8/c1-21(3-2-18(26)27,16-4-12(8-22)19(28)13(5-16)9-23)17-6-14(10-24)20(29)15(7-17)11-25/h4-7,22-25,28-29H,2-3,8-11H2,1H3,(H,26,27)