[(3S,4R)-4-iodanyl-3-methoxy-dodec-1-ynyl]benzene

Systemtic Name: [(3S,4R)-4-iodanyl-3-methoxy-dodec-1-ynyl]benzene Openeye Name: [(3S,4R)-4-iodo-3-methoxy-dodec-1-ynyl]benzene CAS Name: [(3S,4R)-4-iodo-3-methoxydodec-1-ynyl]benzene IUPAC Name: [(3S,4R)-4-iodo-3-methoxydodec-1-ynyl]benzene Traditional Name: [(3S,4R)-4-iodo-3-methoxy-dodec-1-ynyl]benzene Formula: C19H27IO MolecularWeight: 398.32155

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(C#CC1=CC=CC=C1)OC)I

Isomeric SMILES

CCCCCCCC[C@H]([C@H](C#CC1=CC=CC=C1)OC)I

InChI

InChI=1S/C19H27IO/c1-3-4-5-6-7-11-14-18(20)19(21-2)16-15-17-12-9-8-10-13-17/h8-10,12-13,18-19H,3-7,11,14H2,1-2H3/t18-,19+/m1/s1