5-[[3-[(3-carboxy-4-oxidanyl-phenyl)methyl]-5-methyl-2-(10-phenoxydecoxy)phenyl]methyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[3-[(3-carboxy-4-oxidanyl-phenyl)methyl]-5-methyl-2-(10-phenoxydecoxy)phenyl]methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[[3-[(3-carboxy-4-hydroxy-phenyl)methyl]-5-methyl-2-(10-phenoxydecoxy)phenyl]methyl]-2-hydroxy-benzoic acid CAS Name: 5-[[3-[(3-carboxy-4-hydroxyphenyl)methyl]-5-methyl-2-(10-phenoxydecoxy)phenyl]methyl]-2-hydroxybenzoic acid IUPAC Name: 5-[[3-[(3-carboxy-4-hydroxyphenyl)methyl]-5-methyl-2-(10-phenoxydecoxy)phenyl]methyl]-2-hydroxybenzoic acid Traditional Name: 5-[3-(3-carboxy-4-hydroxy-benzyl)-5-methyl-2-(10-phenoxydecoxy)benzyl]-2-hydroxy-benzoic acid Formula: C39H44O8 MolecularWeight: 640.76186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CC2=CC(=C(C=C2)O)C(=O)O)OCCCCCCCCCCOC3=CC=CC=C3)CC4=CC(=C(C=C4)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)CC2=CC(=C(C=C2)O)C(=O)O)OCCCCCCCCCCOC3=CC=CC=C3)CC4=CC(=C(C=C4)O)C(=O)O

InChI

InChI=1S/C39H44O8/c1-27-21-30(23-28-15-17-35(40)33(25-28)38(42)43)37(31(22-27)24-29-16-18-36(41)34(26-29)39(44)45)47-20-12-7-5-3-2-4-6-11-19-46-32-13-9-8-10-14-32/h8-10,13-18,21-22,25-26,40-41H,2-7,11-12,19-20,23-24H2,1H3,(H,42,43)(H,44,45)