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

Systemtic Name: 2-[2-[3-(hexadecylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]oxyethylsulfanyl]ethanoic acid Openeye Name: 2-[2-[[3-(hexadecylcarbamoyl)-4-hydroxy-1-naphthyl]oxy]ethylsulfanyl]acetic acid CAS Name: 2-[2-[[3-[(hexadecylamino)-oxomethyl]-4-hydroxy-1-naphthalenyl]oxy]ethylthio]acetic acid IUPAC Name: 2-[2-[3-(hexadecylcarbamoyl)-4-hydroxynaphthalen-1-yl]oxyethylsulfanyl]acetic acid Traditional Name: 2-[2-[3-(cetylcarbamoyl)-4-hydroxy-1-naphthoxy]ethylthio]acetic acid Formula: C31H47NO5S MolecularWeight: 545.77358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H47NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-32-31(36)27-23-28(37-21-22-38-24-29(33)34)25-18-15-16-19-26(25)30(27)35/h15-16,18-19,23,35H,2-14,17,20-22,24H2,1H3,(H,32,36)(H,33,34)