2-[carboxymethyl-[3-[3-(2-methylsulfinylphenoxy)propoxy]-5-octadecoxy-phenyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[3-[3-(2-methylsulfinylphenoxy)propoxy]-5-octadecoxy-phenyl]amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3-[3-(2-methylsulfinylphenoxy)propoxy]-5-octadecoxy-anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3-[3-(2-methylsulfinylphenoxy)propoxy]-5-octadecoxyanilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3-[3-(2-methylsulfinylphenoxy)propoxy]-5-octadecoxyanilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-3-[3-(2-methylsulfinylphenoxy)propoxy]-5-stearyloxy-anilino]acetic acid Formula: C38H59NO8S MolecularWeight: 689.94196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)OCCCOC2=CC=CC=C2S(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)OCCCOC2=CC=CC=C2S(=O)C

InChI

InChI=1S/C38H59NO8S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-45-33-27-32(39(30-37(40)41)31-38(42)43)28-34(29-33)46-25-21-26-47-35-22-18-19-23-36(35)48(2)44/h18-19,22-23,27-29H,3-17,20-21,24-26,30-31H2,1-2H3,(H,40,41)(H,42,43)