1-butyl-3-hexyl-2-hex-1-ynyl-5-phenoxy-benzene

Systemtic Name: 1-butyl-3-hexyl-2-hex-1-ynyl-5-phenoxy-benzene Openeye Name: 1-butyl-3-hexyl-2-hex-1-ynyl-5-phenoxy-benzene CAS Name: 1-butyl-3-hexyl-2-hex-1-ynyl-5-phenoxybenzene IUPAC Name: 1-butyl-3-hexyl-2-hex-1-ynyl-5-phenoxybenzene Traditional Name: 1-butyl-3-hexyl-2-hex-1-ynyl-5-phenoxy-benzene Formula: C28H38O MolecularWeight: 390.60072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=CC(=C1)OC2=CC=CC=C2)CCCC)C#CCCCC

Isomeric SMILES

CCCCCCC1=C(C(=CC(=C1)OC2=CC=CC=C2)CCCC)C#CCCCC

InChI

InChI=1S/C28H38O/c1-4-7-10-13-18-25-23-27(29-26-19-14-12-15-20-26)22-24(17-9-6-3)28(25)21-16-11-8-5-2/h12,14-15,19-20,22-23H,4-11,13,17-18H2,1-3H3