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

Systemtic Name: 5-[[3-[(3-carboxy-4-oxidanyl-phenyl)methyl]-5-methyl-2-octadecoxy-phenyl]methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[[3-[(3-carboxy-4-hydroxy-phenyl)methyl]-5-methyl-2-octadecoxy-phenyl]methyl]-2-hydroxy-benzoic acid CAS Name: 5-[[3-[(3-carboxy-4-hydroxyphenyl)methyl]-5-methyl-2-octadecoxyphenyl]methyl]-2-hydroxybenzoic acid IUPAC Name: 5-[[3-[(3-carboxy-4-hydroxyphenyl)methyl]-5-methyl-2-octadecoxyphenyl]methyl]-2-hydroxybenzoic acid Traditional Name: 5-[3-(3-carboxy-4-hydroxy-benzyl)-5-methyl-2-stearyloxy-benzyl]-2-hydroxy-benzoic acid Formula: C41H56O7 MolecularWeight: 660.87914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1CC2=CC(=C(C=C2)O)C(=O)O)C)CC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1CC2=CC(=C(C=C2)O)C(=O)O)C)CC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C41H56O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-48-39-33(26-31-19-21-37(42)35(28-31)40(44)45)24-30(2)25-34(39)27-32-20-22-38(43)36(29-32)41(46)47/h19-22,24-25,28-29,42-43H,3-18,23,26-27H2,1-2H3,(H,44,45)(H,46,47)