1-chloranyl-4-[2-methyl-5-(3-phenoxyphenyl)hept-6-yn-2-yl]benzene

Systemtic Name: 1-chloranyl-4-[2-methyl-5-(3-phenoxyphenyl)hept-6-yn-2-yl]benzene Openeye Name: 1-chloro-4-[1,1-dimethyl-4-(3-phenoxyphenyl)hex-5-ynyl]benzene CAS Name: 1-chloro-4-[2-methyl-5-(3-phenoxyphenyl)hept-6-yn-2-yl]benzene IUPAC Name: 1-chloro-4-[2-methyl-5-(3-phenoxyphenyl)hept-6-yn-2-yl]benzene Traditional Name: 1-chloro-4-[1,1-dimethyl-4-(3-phenoxyphenyl)hex-5-ynyl]benzene Formula: C26H25ClO MolecularWeight: 388.9291

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(C#C)C1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(CCC(C#C)C1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H25ClO/c1-4-20(17-18-26(2,3)22-13-15-23(27)16-14-22)21-9-8-12-25(19-21)28-24-10-6-5-7-11-24/h1,5-16,19-20H,17-18H2,2-3H3