methyl 4-[(2R,3R)-3-ethenyl-3-ethyl-2-oxidanyl-heptan-2-yl]benzoate

Systemtic Name: methyl 4-[(2R,3R)-3-ethenyl-3-ethyl-2-oxidanyl-heptan-2-yl]benzoate Openeye Name: methyl 4-[(1R,2R)-2-ethyl-1-hydroxy-1-methyl-2-vinyl-hexyl]benzoate CAS Name: 4-[(2R,3R)-3-ethenyl-3-ethyl-2-hydroxyheptan-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2R,3R)-3-ethenyl-3-ethyl-2-hydroxyheptan-2-yl]benzoate Traditional Name: 4-[(1R,2R)-2-butyl-2-ethyl-1-hydroxy-1-methyl-but-3-enyl]benzoic acid methyl ester Formula: C19H28O3 MolecularWeight: 304.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28O3/c1-6-9-14-19(7-2,8-3)18(4,21)16-12-10-15(11-13-16)17(20)22-5/h7,10-13,21H,2,6,8-9,14H2,1,3-5H3/t18-,19+/m0/s1