[3-butyl-3,6-bis(oxidanyl)-2-oxidanylidene-heptyl] 4-oxidanylbenzoate

Systemtic Name: [3-butyl-3,6-bis(oxidanyl)-2-oxidanylidene-heptyl] 4-oxidanylbenzoate Openeye Name: (3-butyl-3,6-dihydroxy-2-oxo-heptyl) 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid (3-butyl-3,6-dihydroxy-2-oxoheptyl) ester IUPAC Name: (3-butyl-3,6-dihydroxy-2-oxoheptyl) 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid (3-butyl-3,6-dihydroxy-2-keto-heptyl) ester Formula: C18H26O6 MolecularWeight: 338.39544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(C)O)(C(=O)COC(=O)C1=CC=C(C=C1)O)O

Isomeric SMILES

CCCCC(CCC(C)O)(C(=O)COC(=O)C1=CC=C(C=C1)O)O

InChI

InChI=1S/C18H26O6/c1-3-4-10-18(23,11-9-13(2)19)16(21)12-24-17(22)14-5-7-15(20)8-6-14/h5-8,13,19-20,23H,3-4,9-12H2,1-2H3