2-methoxy-4-[(2S,3R)-5-methyl-2,3-bis(oxidanyl)hexyl]benzoic acid

Systemtic Name: 2-methoxy-4-[(2S,3R)-5-methyl-2,3-bis(oxidanyl)hexyl]benzoic acid Openeye Name: 4-[(2S,3R)-2,3-dihydroxy-5-methyl-hexyl]-2-methoxy-benzoic acid CAS Name: 4-[(2S,3R)-2,3-dihydroxy-5-methylhexyl]-2-methoxybenzoic acid IUPAC Name: 4-[(2S,3R)-2,3-dihydroxy-5-methylhexyl]-2-methoxybenzoic acid Traditional Name: 4-[(2S,3R)-2,3-dihydroxy-5-methyl-hexyl]-2-methoxy-benzoic acid Formula: C15H22O5 MolecularWeight: 282.33218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC1=CC(=C(C=C1)C(=O)O)OC)O)O

Isomeric SMILES

CC(C)C[C@H]([C@H](CC1=CC(=C(C=C1)C(=O)O)OC)O)O

InChI

InChI=1S/C15H22O5/c1-9(2)6-12(16)13(17)7-10-4-5-11(15(18)19)14(8-10)20-3/h4-5,8-9,12-13,16-17H,6-7H2,1-3H3,(H,18,19)/t12-,13+/m1/s1