(3S,4S)-3-(hydroxymethyl)-4-[2-(3-nonanoylphenyl)ethyl]oxetan-2-one

Systemtic Name: (3S,4S)-3-(hydroxymethyl)-4-[2-(3-nonanoylphenyl)ethyl]oxetan-2-one Openeye Name: (3S,4S)-3-(hydroxymethyl)-4-[2-(3-nonanoylphenyl)ethyl]oxetan-2-one CAS Name: (3S,4S)-3-(hydroxymethyl)-4-[2-[3-(1-oxononyl)phenyl]ethyl]-2-oxetanone IUPAC Name: (3S,4S)-3-(hydroxymethyl)-4-[2-(3-nonanoylphenyl)ethyl]oxetan-2-one Traditional Name: (3S,4S)-3-methylol-4-[2-(3-pelargonylphenyl)ethyl]oxetan-2-one Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)C1=CC(=CC=C1)CCC2C(C(=O)O2)CO

Isomeric SMILES

CCCCCCCCC(=O)C1=CC(=CC=C1)CC[C@H]2[C@@H](C(=O)O2)CO

InChI

InChI=1S/C21H30O4/c1-2-3-4-5-6-7-11-19(23)17-10-8-9-16(14-17)12-13-20-18(15-22)21(24)25-20/h8-10,14,18,20,22H,2-7,11-13,15H2,1H3/t18-,20-/m0/s1