3,5-bis(2-methyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl)-2-oxidanyl-benzoic acid

Systemtic Name: 3,5-bis(2-methyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl)-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-3,5-bis(5-hydroxy-1,1-dimethyl-5-oxo-pentyl)benzoic acid CAS Name: 2-hydroxy-3,5-bis(6-hydroxy-2-methyl-6-oxohexan-2-yl)benzoic acid IUPAC Name: 2-hydroxy-3,5-bis(6-hydroxy-2-methyl-6-oxohexan-2-yl)benzoic acid Traditional Name: 2-hydroxy-3,5-bis(5-hydroxy-5-keto-1,1-dimethyl-pentyl)benzoic acid Formula: C21H30O7 MolecularWeight: 394.4587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC(=O)O)C1=CC(=C(C(=C1)C(=O)O)O)C(C)(C)CCCC(=O)O

Isomeric SMILES

CC(C)(CCCC(=O)O)C1=CC(=C(C(=C1)C(=O)O)O)C(C)(C)CCCC(=O)O

InChI

InChI=1S/C21H30O7/c1-20(2,9-5-7-16(22)23)13-11-14(19(27)28)18(26)15(12-13)21(3,4)10-6-8-17(24)25/h11-12,26H,5-10H2,1-4H3,(H,22,23)(H,24,25)(H,27,28)