4-[1-[4-[2-(4-butylphenyl)ethynyl]phenyl]pentoxy]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[1-[4-[2-(4-butylphenyl)ethynyl]phenyl]pentoxy]-2-oxidanyl-benzoic acid Openeye Name: 4-[1-[4-[2-(4-butylphenyl)ethynyl]phenyl]pentoxy]-2-hydroxy-benzoic acid CAS Name: 4-[1-[4-[2-(4-butylphenyl)ethynyl]phenyl]pentoxy]-2-hydroxybenzoic acid IUPAC Name: 4-[1-[4-[2-(4-butylphenyl)ethynyl]phenyl]pentoxy]-2-hydroxybenzoic acid Traditional Name: 4-[1-[4-[2-(4-butylphenyl)ethynyl]phenyl]pentoxy]-2-hydroxy-benzoic acid Formula: C30H32O4 MolecularWeight: 456.57268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(CCCC)OC3=CC(=C(C=C3)C(=O)O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(CCCC)OC3=CC(=C(C=C3)C(=O)O)O

InChI

InChI=1S/C30H32O4/c1-3-5-7-22-9-11-23(12-10-22)13-14-24-15-17-25(18-16-24)29(8-6-4-2)34-26-19-20-27(30(32)33)28(31)21-26/h9-12,15-21,29,31H,3-8H2,1-2H3,(H,32,33)