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

Systemtic Name: 5-[[3-[(3-carboxy-4-oxidanyl-phenyl)methyl]-2-dodecoxy-5-methyl-phenyl]methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[[3-[(3-carboxy-4-hydroxy-phenyl)methyl]-2-dodecoxy-5-methyl-phenyl]methyl]-2-hydroxy-benzoic acid CAS Name: 5-[[3-[(3-carboxy-4-hydroxyphenyl)methyl]-2-dodecoxy-5-methylphenyl]methyl]-2-hydroxybenzoic acid IUPAC Name: 5-[[3-[(3-carboxy-4-hydroxyphenyl)methyl]-2-dodecoxy-5-methylphenyl]methyl]-2-hydroxybenzoic acid Traditional Name: 5-[3-(3-carboxy-4-hydroxy-benzyl)-2-lauryloxy-5-methyl-benzyl]-2-hydroxy-benzoic acid Formula: C35H44O7 MolecularWeight: 576.71966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=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

CCCCCCCCCCCCOC1=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/C35H44O7/c1-3-4-5-6-7-8-9-10-11-12-17-42-33-27(20-25-13-15-31(36)29(22-25)34(38)39)18-24(2)19-28(33)21-26-14-16-32(37)30(23-26)35(40)41/h13-16,18-19,22-23,36-37H,3-12,17,20-21H2,1-2H3,(H,38,39)(H,40,41)