methyl 4-[2-[4-[2-(4-dodecoxyphenyl)ethynyl]phenyl]carbonyloxynaphthalen-1-yl]-3-oxidanyl-naphthalene-2-carboxylate

Systemtic Name: methyl 4-[2-[4-[2-(4-dodecoxyphenyl)ethynyl]phenyl]carbonyloxynaphthalen-1-yl]-3-oxidanyl-naphthalene-2-carboxylate Openeye Name: methyl 4-[2-[4-[2-(4-dodecoxyphenyl)ethynyl]benzoyl]oxy-1-naphthyl]-3-hydroxy-naphthalene-2-carboxylate CAS Name: 4-[2-[[4-[2-(4-dodecoxyphenyl)ethynyl]phenyl]-oxomethoxy]-1-naphthalenyl]-3-hydroxy-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[4-[2-(4-dodecoxyphenyl)ethynyl]benzoyl]oxynaphthalen-1-yl]-3-hydroxynaphthalene-2-carboxylate Traditional Name: 3-hydroxy-4-[2-[4-[2-(4-lauryloxyphenyl)ethynyl]benzoyl]oxy-1-naphthyl]naphthalene-2-carboxylic acid methyl ester Formula: C49H48O6 MolecularWeight: 732.90182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC3=C(C4=CC=CC=C4C=C3)C5=C(C(=CC6=CC=CC=C65)C(=O)OC)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC3=C(C4=CC=CC=C4C=C3)C5=C(C(=CC6=CC=CC=C65)C(=O)OC)O

InChI

InChI=1S/C49H48O6/c1-3-4-5-6-7-8-9-10-11-16-33-54-40-30-25-36(26-31-40)22-21-35-23-27-38(28-24-35)48(51)55-44-32-29-37-17-12-14-19-41(37)45(44)46-42-20-15-13-18-39(42)34-43(47(46)50)49(52)53-2/h12-15,17-20,23-32,34,50H,3-11,16,33H2,1-2H3