methyl (E,2S)-2-[(1S)-1-oxidanylethyl]-13-phenylmethoxy-tridec-4-enoate

Systemtic Name: methyl (E,2S)-2-[(1S)-1-oxidanylethyl]-13-phenylmethoxy-tridec-4-enoate Openeye Name: methyl (E,2S)-13-benzyloxy-2-[(1S)-1-hydroxyethyl]tridec-4-enoate CAS Name: (E,2S)-2-[(1S)-1-hydroxyethyl]-13-phenylmethoxy-4-tridecenoic acid methyl ester IUPAC Name: methyl (E,2S)-2-[(1S)-1-hydroxyethyl]-13-phenylmethoxytridec-4-enoate Traditional Name: (E,2S)-13-benzoxy-2-[(1S)-1-hydroxyethyl]tridec-4-enoic acid methyl ester Formula: C23H36O4 MolecularWeight: 376.52954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC=CCCCCCCCCOCC1=CC=CC=C1)C(=O)OC)O

Isomeric SMILES

C[C@@H]([C@H](C/C=C/CCCCCCCCOCC1=CC=CC=C1)C(=O)OC)O

InChI

InChI=1S/C23H36O4/c1-20(24)22(23(25)26-2)17-13-8-6-4-3-5-7-9-14-18-27-19-21-15-11-10-12-16-21/h8,10-13,15-16,20,22,24H,3-7,9,14,17-19H2,1-2H3/b13-8+/t20-,22-/m0/s1