12-oxidanyldodeca-5,7-diynyl 4-[4-[4-(4-pentoxyphenyl)phenyl]carbonyloxyphenyl]benzoate

Systemtic Name: 12-oxidanyldodeca-5,7-diynyl 4-[4-[4-(4-pentoxyphenyl)phenyl]carbonyloxyphenyl]benzoate Openeye Name: 12-hydroxydodeca-5,7-diynyl 4-[4-[4-(4-pentoxyphenyl)benzoyl]oxyphenyl]benzoate CAS Name: 4-[4-[oxo-[4-(4-pentoxyphenyl)phenyl]methoxy]phenyl]benzoic acid 12-hydroxydodeca-5,7-diynyl ester IUPAC Name: 12-hydroxydodeca-5,7-diynyl 4-[4-[4-(4-pentoxyphenyl)benzoyl]oxyphenyl]benzoate Traditional Name: 4-[4-[4-(4-amoxyphenyl)benzoyl]oxyphenyl]benzoic acid 12-hydroxydodeca-5,7-diynyl ester Formula: C43H44O6 MolecularWeight: 656.80586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)OCCCCC#CC#CCCCCO

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)OCCCCC#CC#CCCCCO

InChI

InChI=1S/C43H44O6/c1-2-3-13-32-47-40-27-23-36(24-28-40)35-17-21-39(22-18-35)43(46)49-41-29-25-37(26-30-41)34-15-19-38(20-16-34)42(45)48-33-14-11-9-7-5-4-6-8-10-12-31-44/h15-30,44H,2-3,8-14,31-33H2,1H3