butyl 3-(3-butyl-2-methanoyl-phenyl)-2-oxidanyl-3-oxidanylidene-propanoate

Systemtic Name: butyl 3-(3-butyl-2-methanoyl-phenyl)-2-oxidanyl-3-oxidanylidene-propanoate Openeye Name: butyl 3-(3-butyl-2-formyl-phenyl)-2-hydroxy-3-oxo-propanoate CAS Name: 3-(3-butyl-2-formylphenyl)-2-hydroxy-3-oxopropanoic acid butyl ester IUPAC Name: butyl 3-(3-butyl-2-formylphenyl)-2-hydroxy-3-oxopropanoate Traditional Name: 3-(3-butyl-2-formyl-phenyl)-2-hydroxy-3-keto-propionic acid butyl ester Formula: C18H24O5 MolecularWeight: 320.38016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1C=O)C(=O)C(C(=O)OCCCC)O

Isomeric SMILES

CCCCC1=CC=CC(=C1C=O)C(=O)C(C(=O)OCCCC)O

InChI

InChI=1S/C18H24O5/c1-3-5-8-13-9-7-10-14(15(13)12-19)16(20)17(21)18(22)23-11-6-4-2/h7,9-10,12,17,21H,3-6,8,11H2,1-2H3