4-heptoxy-2-non-1-ynyl-1-(2-phenylethynyl)benzene

Systemtic Name: 4-heptoxy-2-non-1-ynyl-1-(2-phenylethynyl)benzene Openeye Name: 4-heptoxy-2-non-1-ynyl-1-(2-phenylethynyl)benzene CAS Name: 4-heptoxy-2-non-1-ynyl-1-(2-phenylethynyl)benzene IUPAC Name: 4-heptoxy-2-non-1-ynyl-1-(2-phenylethynyl)benzene Traditional Name: 4-heptoxy-2-non-1-ynyl-1-(2-phenylethynyl)benzene Formula: C30H38O MolecularWeight: 414.62212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC#CC1=C(C=CC(=C1)OCCCCCCC)C#CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC#CC1=C(C=CC(=C1)OCCCCCCC)C#CC2=CC=CC=C2

InChI

InChI=1S/C30H38O/c1-3-5-7-9-10-11-16-20-29-26-30(31-25-17-12-8-6-4-2)24-23-28(29)22-21-27-18-14-13-15-19-27/h13-15,18-19,23-24,26H,3-12,17,25H2,1-2H3