4-[(2R)-6-methyl-2-oxidanyl-heptan-2-yl]-3-oxidanyl-benzoate

Systemtic Name: 4-[(2R)-6-methyl-2-oxidanyl-heptan-2-yl]-3-oxidanyl-benzoate Openeye Name: 3-hydroxy-4-[(1R)-1-hydroxy-1,5-dimethyl-hexyl]benzoate CAS Name: 3-hydroxy-4-[(2R)-2-hydroxy-6-methylheptan-2-yl]benzoate IUPAC Name: 3-hydroxy-4-[(2R)-2-hydroxy-6-methylheptan-2-yl]benzoate Traditional Name: 3-hydroxy-4-[(1R)-1-hydroxy-1,5-dimethyl-hexyl]benzoate Formula: C15H21O4- MolecularWeight: 265.32484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)(C1=C(C=C(C=C1)C(=O)[O-])O)O

Isomeric SMILES

CC(C)CCC[C@](C)(C1=C(C=C(C=C1)C(=O)[O-])O)O

InChI

InChI=1S/C15H22O4/c1-10(2)5-4-8-15(3,19)12-7-6-11(14(17)18)9-13(12)16/h6-7,9-10,16,19H,4-5,8H2,1-3H3,(H,17,18)/p-1/t15-/m1/s1