2-[[2-[6-[2,3-bis(oxidanyl)phenyl]hexoxy]-5-octadecoxy-phenyl]carbonyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[2-[6-[2,3-bis(oxidanyl)phenyl]hexoxy]-5-octadecoxy-phenyl]carbonyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[2-[6-(2,3-dihydroxyphenyl)hexoxy]-5-octadecoxy-benzoyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[[2-[6-(2,3-dihydroxyphenyl)hexoxy]-5-octadecoxyphenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[2-[6-(2,3-dihydroxyphenyl)hexoxy]-5-octadecoxybenzoyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[2-[6-(2,3-dihydroxyphenyl)hexoxy]-5-stearyloxy-benzoyl]amino]acetic acid Formula: C41H63NO9 MolecularWeight: 713.94022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCCCCCCC2=C(C(=CC=C2)O)O)C(=O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCCCCCCC2=C(C(=CC=C2)O)O)C(=O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C41H63NO9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-28-50-34-26-27-37(35(30-34)41(49)42(31-38(44)45)32-39(46)47)51-29-21-18-16-19-23-33-24-22-25-36(43)40(33)48/h22,24-27,30,43,48H,2-21,23,28-29,31-32H2,1H3,(H,44,45)(H,46,47)