6-[2-[(2-methoxy-5-oxidanyl-pyren-1-yl)-(4-methoxyphenyl)methyl]phenyl]hexanoic acid

Systemtic Name: 6-[2-[(2-methoxy-5-oxidanyl-pyren-1-yl)-(4-methoxyphenyl)methyl]phenyl]hexanoic acid Openeye Name: 6-[2-[(5-hydroxy-2-methoxy-pyren-1-yl)-(4-methoxyphenyl)methyl]phenyl]hexanoic acid CAS Name: 6-[2-[(5-hydroxy-2-methoxy-1-pyrenyl)-(4-methoxyphenyl)methyl]phenyl]hexanoic acid IUPAC Name: 6-[2-[(5-hydroxy-2-methoxypyren-1-yl)-(4-methoxyphenyl)methyl]phenyl]hexanoic acid Traditional Name: 6-[2-[(5-hydroxy-2-methoxy-pyren-1-yl)-(4-methoxyphenyl)methyl]phenyl]hexanoic acid Formula: C37H34O5 MolecularWeight: 558.66286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2CCCCCC(=O)O)C3=C(C=C4C=C(C5=CC=CC6=C5C4=C3C=C6)O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2CCCCCC(=O)O)C3=C(C=C4C=C(C5=CC=CC6=C5C4=C3C=C6)O)OC

InChI

InChI=1S/C37H34O5/c1-41-27-18-15-25(16-19-27)34(28-12-7-6-10-23(28)9-4-3-5-14-33(39)40)37-30-20-17-24-11-8-13-29-31(38)21-26(22-32(37)42-2)36(30)35(24)29/h6-8,10-13,15-22,34,38H,3-5,9,14H2,1-2H3,(H,39,40)