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ethyl (6S)-6-methyl-4-oxidanyl-11-phenylmethoxy-undec-2-ynoate

ethyl (6S)-6-methyl-4-oxidanyl-11-phenylmethoxy-undec-2-ynoate

Systemtic Name:ethyl (6S)-6-methyl-4-oxidanyl-11-phenylmethoxy-undec-2-ynoate
Openeye Name:ethyl (6S)-11-benzyloxy-4-hydroxy-6-methyl-undec-2-ynoate
CAS Name:(6S)-4-hydroxy-6-methyl-11-phenylmethoxy-2-undecynoic acid ethyl ester
IUPAC Name:ethyl (6S)-4-hydroxy-6-methyl-11-phenylmethoxyundec-2-ynoate
Traditional Name:(6S)-11-benzoxy-4-hydroxy-6-methyl-undec-2-ynoic acid ethyl ester
Formula: C21H30O4
MolecularWeight: 346.4605
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CC(CC(C)CCCCCOCC1=CC=CC=C1)O


Isomeric SMILES

CCOC(=O)C#CC(C[C@@H](C)CCCCCOCC1=CC=CC=C1)O


InChI

InChI=1S/C21H30O4/c1-3-25-21(23)14-13-20(22)16-18(2)10-6-5-9-15-24-17-19-11-7-4-8-12-19/h4,7-8,11-12,18,20,22H,3,5-6,9-10,15-17H2,1-2H3/t18-,20?/m0/s1


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