1-[(1R,2S,4R)-2-bromanyl-4-tert-butyl-1-prop-2-ynoxy-cyclohexyl]-4-methyl-benzene

Systemtic Name: 1-[(1R,2S,4R)-2-bromanyl-4-tert-butyl-1-prop-2-ynoxy-cyclohexyl]-4-methyl-benzene Openeye Name: 1-[(1R,2S,4R)-2-bromo-4-tert-butyl-1-prop-2-ynoxy-cyclohexyl]-4-methyl-benzene CAS Name: 1-[(1R,2S,4R)-2-bromo-4-tert-butyl-1-prop-2-ynoxycyclohexyl]-4-methylbenzene IUPAC Name: 1-[(1R,2S,4R)-2-bromo-4-tert-butyl-1-prop-2-ynoxycyclohexyl]-4-methylbenzene Traditional Name: 1-[(1R,2S,4R)-2-bromo-4-tert-butyl-1-propargyloxy-cyclohexyl]-4-methyl-benzene Formula: C20H27BrO MolecularWeight: 363.33178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CCC(CC2Br)C(C)(C)C)OCC#C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@]2(CC[C@H](C[C@@H]2Br)C(C)(C)C)OCC#C

InChI

InChI=1S/C20H27BrO/c1-6-13-22-20(16-9-7-15(2)8-10-16)12-11-17(14-18(20)21)19(3,4)5/h1,7-10,17-18H,11-14H2,2-5H3/t17-,18+,20-/m1/s1