1-(12-bromanyldodec-2-ynyl)-3-methyl-benzene

Systemtic Name: 1-(12-bromanyldodec-2-ynyl)-3-methyl-benzene Openeye Name: 1-(12-bromododec-2-ynyl)-3-methyl-benzene CAS Name: 1-(12-bromododec-2-ynyl)-3-methylbenzene IUPAC Name: 1-(12-bromododec-2-ynyl)-3-methylbenzene Traditional Name: 1-(12-bromododec-2-ynyl)-3-methyl-benzene Formula: C19H27Br MolecularWeight: 335.32168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC#CCCCCCCCCCBr

Isomeric SMILES

CC1=CC(=CC=C1)CC#CCCCCCCCCCBr

InChI

InChI=1S/C19H27Br/c1-18-13-12-15-19(17-18)14-10-8-6-4-2-3-5-7-9-11-16-20/h12-13,15,17H,2-7,9,11,14,16H2,1H3