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

Systemtic Name: 2-[2-[4-[4-(4-acetyloxybut-1-ynyl)phenyl]phenyl]-2-oxidanylidene-ethyl]-5-phenyl-pentanoic acid Openeye Name: 2-[2-[4-[4-(4-acetoxybut-1-ynyl)phenyl]phenyl]-2-oxo-ethyl]-5-phenyl-pentanoic acid CAS Name: 2-[2-[4-[4-(4-acetyloxybut-1-ynyl)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid IUPAC Name: 2-[2-[4-[4-(4-acetyloxybut-1-ynyl)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid Traditional Name: 2-[2-[4-[4-(4-acetoxybut-1-ynyl)phenyl]phenyl]-2-keto-ethyl]-5-phenyl-valeric acid Formula: C31H30O5 MolecularWeight: 482.5669

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC#CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CC(CCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(=O)OCCC#CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CC(CCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C31H30O5/c1-23(32)36-21-6-5-10-25-13-15-26(16-14-25)27-17-19-28(20-18-27)30(33)22-29(31(34)35)12-7-11-24-8-3-2-4-9-24/h2-4,8-9,13-20,29H,6-7,11-12,21-22H2,1H3,(H,34,35)