methyl 3-methyl-5-octanoyl-2-oxidanyl-benzoate

Systemtic Name: methyl 3-methyl-5-octanoyl-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-3-methyl-5-octanoyl-benzoate CAS Name: 2-hydroxy-3-methyl-5-(1-oxooctyl)benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-3-methyl-5-octanoylbenzoate Traditional Name: 5-caprylyl-2-hydroxy-3-methyl-benzoic acid methyl ester Formula: C17H24O4 MolecularWeight: 292.37006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O4/c1-4-5-6-7-8-9-15(18)13-10-12(2)16(19)14(11-13)17(20)21-3/h10-11,19H,4-9H2,1-3H3