3-[2-[4-[2-(3-carboxy-5-dodecoxy-phenyl)ethynyl]phenyl]ethynyl]-5-dodecoxy-benzoic acid

Systemtic Name: 3-[2-[4-[2-(3-carboxy-5-dodecoxy-phenyl)ethynyl]phenyl]ethynyl]-5-dodecoxy-benzoic acid Openeye Name: 3-[2-[4-[2-(3-carboxy-5-dodecoxy-phenyl)ethynyl]phenyl]ethynyl]-5-dodecoxy-benzoic acid CAS Name: 3-[2-[4-[2-(3-carboxy-5-dodecoxyphenyl)ethynyl]phenyl]ethynyl]-5-dodecoxybenzoic acid IUPAC Name: 3-[2-[4-[2-(3-carboxy-5-dodecoxyphenyl)ethynyl]phenyl]ethynyl]-5-dodecoxybenzoic acid Traditional Name: 3-[2-[4-[2-(3-carboxy-5-lauryloxy-phenyl)ethynyl]phenyl]ethynyl]-5-lauryloxy-benzoic acid Formula: C48H62O6 MolecularWeight: 735.00228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)O)C#CC2=CC=C(C=C2)C#CC3=CC(=CC(=C3)OCCCCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)O)C#CC2=CC=C(C=C2)C#CC3=CC(=CC(=C3)OCCCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C48H62O6/c1-3-5-7-9-11-13-15-17-19-21-31-53-45-35-41(33-43(37-45)47(49)50)29-27-39-23-25-40(26-24-39)28-30-42-34-44(48(51)52)38-46(36-42)54-32-22-20-18-16-14-12-10-8-6-4-2/h23-26,33-38H,3-22,31-32H2,1-2H3,(H,49,50)(H,51,52)