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

Systemtic Name: 5-[[3-[(3-carboxy-4-oxidanyl-phenyl)methyl]-5-methyl-2-pentadecoxy-phenyl]methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[[3-[(3-carboxy-4-hydroxy-phenyl)methyl]-5-methyl-2-pentadecoxy-phenyl]methyl]-2-hydroxy-benzoic acid CAS Name: 5-[[3-[(3-carboxy-4-hydroxyphenyl)methyl]-5-methyl-2-pentadecoxyphenyl]methyl]-2-hydroxybenzoic acid IUPAC Name: 5-[[3-[(3-carboxy-4-hydroxyphenyl)methyl]-5-methyl-2-pentadecoxyphenyl]methyl]-2-hydroxybenzoic acid Traditional Name: 5-[3-(3-carboxy-4-hydroxy-benzyl)-5-methyl-2-pentadecoxy-benzyl]-2-hydroxy-benzoic acid Formula: C38H50O7 MolecularWeight: 618.7994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC1=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

CCCCCCCCCCCCCCCOC1=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/C38H50O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-45-36-30(23-28-16-18-34(39)32(25-28)37(41)42)21-27(2)22-31(36)24-29-17-19-35(40)33(26-29)38(43)44/h16-19,21-22,25-26,39-40H,3-15,20,23-24H2,1-2H3,(H,41,42)(H,43,44)