2-[2-[3-(octadecylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]oxyethylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-[3-(octadecylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]oxyethylsulfanyl]ethanoic acid Openeye Name: 2-[2-[[4-hydroxy-3-(octadecylcarbamoyl)-1-naphthyl]oxy]ethylsulfanyl]acetic acid CAS Name: 2-[2-[[4-hydroxy-3-[(octadecylamino)-oxomethyl]-1-naphthalenyl]oxy]ethylthio]acetic acid IUPAC Name: 2-[2-[4-hydroxy-3-(octadecylcarbamoyl)naphthalen-1-yl]oxyethylsulfanyl]acetic acid Traditional Name: 2-[2-[4-hydroxy-3-(stearylcarbamoyl)-1-naphthoxy]ethylthio]acetic acid Formula: C33H51NO5S MolecularWeight: 573.82674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)OCCSCC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)OCCSCC(=O)O)O

InChI

InChI=1S/C33H51NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-34-33(38)29-25-30(39-23-24-40-26-31(35)36)27-20-17-18-21-28(27)32(29)37/h17-18,20-21,25,37H,2-16,19,22-24,26H2,1H3,(H,34,38)(H,35,36)