2-[2-[4-[4-(6-oxidanylhex-1-ynyl)phenyl]phenyl]-2-oxidanylidene-ethyl]-5-phenyl-pentanoic acid

Systemtic Name: 2-[2-[4-[4-(6-oxidanylhex-1-ynyl)phenyl]phenyl]-2-oxidanylidene-ethyl]-5-phenyl-pentanoic acid Openeye Name: 2-[2-[4-[4-(6-hydroxyhex-1-ynyl)phenyl]phenyl]-2-oxo-ethyl]-5-phenyl-pentanoic acid CAS Name: 2-[2-[4-[4-(6-hydroxyhex-1-ynyl)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid IUPAC Name: 2-[2-[4-[4-(6-hydroxyhex-1-ynyl)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid Traditional Name: 2-[2-[4-[4-(6-hydroxyhex-1-ynyl)phenyl]phenyl]-2-keto-ethyl]-5-phenyl-valeric acid Formula: C31H32O4 MolecularWeight: 468.58338

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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#CCCCCO)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C31H32O4/c32-22-7-2-1-4-11-25-14-16-26(17-15-25)27-18-20-28(21-19-27)30(33)23-29(31(34)35)13-8-12-24-9-5-3-6-10-24/h3,5-6,9-10,14-21,29,32H,1-2,7-8,12-13,22-23H2,(H,34,35)