[(2S)-2-methylbutyl] 4-methanoylbenzoate

Systemtic Name: [(2S)-2-methylbutyl] 4-methanoylbenzoate Openeye Name: [(2S)-2-methylbutyl] 4-formylbenzoate CAS Name: 4-formylbenzoic acid [(2S)-2-methylbutyl] ester IUPAC Name: [(2S)-2-methylbutyl] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [(2S)-2-methylbutyl] ester Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)COC(=O)C1=CC=C(C=C1)C=O

InChI

InChI=1S/C13H16O3/c1-3-10(2)9-16-13(15)12-6-4-11(8-14)5-7-12/h4-8,10H,3,9H2,1-2H3/t10-/m0/s1