heptan-2-yl 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: heptan-2-yl 3,4,5-tris(oxidanyl)benzoate Openeye Name: 1-methylhexyl 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid heptan-2-yl ester IUPAC Name: heptan-2-yl 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid 1-methylhexyl ester Formula: C14H20O5 MolecularWeight: 268.3056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O5/c1-3-4-5-6-9(2)19-14(18)10-7-11(15)13(17)12(16)8-10/h7-9,15-17H,3-6H2,1-2H3