2-[2-[4-[4-(4-oxidanylbut-1-ynyl)phenyl]phenyl]-2-oxidanylidene-ethyl]-5-phenyl-pentanoic acid

Systemtic Name: 2-[2-[4-[4-(4-oxidanylbut-1-ynyl)phenyl]phenyl]-2-oxidanylidene-ethyl]-5-phenyl-pentanoic acid Openeye Name: 2-[2-[4-[4-(4-hydroxybut-1-ynyl)phenyl]phenyl]-2-oxo-ethyl]-5-phenyl-pentanoic acid CAS Name: 2-[2-[4-[4-(4-hydroxybut-1-ynyl)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid IUPAC Name: 2-[2-[4-[4-(4-hydroxybut-1-ynyl)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid Traditional Name: 2-[2-[4-[4-(4-hydroxybut-1-ynyl)phenyl]phenyl]-2-keto-ethyl]-5-phenyl-valeric acid Formula: C29H28O4 MolecularWeight: 440.53022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C#CCCO)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C#CCCO)C(=O)O

InChI

InChI=1S/C29H28O4/c30-20-5-4-9-23-12-14-24(15-13-23)25-16-18-26(19-17-25)28(31)21-27(29(32)33)11-6-10-22-7-2-1-3-8-22/h1-3,7-8,12-19,27,30H,5-6,10-11,20-21H2,(H,32,33)