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

Systemtic Name: 6-[2-[(2-methoxy-5-oxidanyl-pyren-4-yl)-(4-methoxyphenyl)methyl]phenyl]hexanoic acid Openeye Name: 6-[2-[(5-hydroxy-2-methoxy-pyren-4-yl)-(4-methoxyphenyl)methyl]phenyl]hexanoic acid CAS Name: 6-[2-[(5-hydroxy-2-methoxy-4-pyrenyl)-(4-methoxyphenyl)methyl]phenyl]hexanoic acid IUPAC Name: 6-[2-[(5-hydroxy-2-methoxypyren-4-yl)-(4-methoxyphenyl)methyl]phenyl]hexanoic acid Traditional Name: 6-[2-[(5-hydroxy-2-methoxy-pyren-4-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(C4=CC=CC5=C4C6=C3C=C(C=C6C=C5)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2CCCCCC(=O)O)C3=C(C4=CC=CC5=C4C6=C3C=C(C=C6C=C5)OC)O

InChI

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