methyl (2E,4S,5E,7R)-4-butyl-4-methyl-7-oxidanyl-8-phenylmethoxy-octa-2,5-dienoate

Systemtic Name: methyl (2E,4S,5E,7R)-4-butyl-4-methyl-7-oxidanyl-8-phenylmethoxy-octa-2,5-dienoate Openeye Name: methyl (2E,4S,5E,7R)-8-benzyloxy-4-butyl-7-hydroxy-4-methyl-octa-2,5-dienoate CAS Name: (2E,4S,5E,7R)-4-butyl-7-hydroxy-4-methyl-8-phenylmethoxyocta-2,5-dienoic acid methyl ester IUPAC Name: methyl (2E,4S,5E,7R)-4-butyl-7-hydroxy-4-methyl-8-phenylmethoxyocta-2,5-dienoate Traditional Name: (2E,4S,5E,7R)-8-benzoxy-4-butyl-7-hydroxy-4-methyl-octa-2,5-dienoic acid methyl ester Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C=CC(COCC1=CC=CC=C1)O)C=CC(=O)OC

Isomeric SMILES

CCCC[C@@](C)(/C=C/[C@H](COCC1=CC=CC=C1)O)/C=C/C(=O)OC

InChI

InChI=1S/C21H30O4/c1-4-5-13-21(2,15-12-20(23)24-3)14-11-19(22)17-25-16-18-9-7-6-8-10-18/h6-12,14-15,19,22H,4-5,13,16-17H2,1-3H3/b14-11+,15-12+/t19-,21+/m1/s1