2-[1-[3-(hexadecylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]oxy-2-oxidanyl-propyl]sulfanylethanoic acid

Systemtic Name: 2-[1-[3-(hexadecylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]oxy-2-oxidanyl-propyl]sulfanylethanoic acid Openeye Name: 2-[1-[[3-(hexadecylcarbamoyl)-4-hydroxy-1-naphthyl]oxy]-2-hydroxy-propyl]sulfanylacetic acid CAS Name: 2-[[1-[[3-[(hexadecylamino)-oxomethyl]-4-hydroxy-1-naphthalenyl]oxy]-2-hydroxypropyl]thio]acetic acid IUPAC Name: 2-[1-[3-(hexadecylcarbamoyl)-4-hydroxynaphthalen-1-yl]oxy-2-hydroxypropyl]sulfanylacetic acid Traditional Name: 2-[[1-[3-(cetylcarbamoyl)-4-hydroxy-1-naphthoxy]-2-hydroxy-propyl]thio]acetic acid Formula: C32H49NO6S MolecularWeight: 575.79956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)OC(C(C)O)SCC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)OC(C(C)O)SCC(=O)O)O

InChI

InChI=1S/C32H49NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-33-31(38)27-22-28(25-19-16-17-20-26(25)30(27)37)39-32(24(2)34)40-23-29(35)36/h16-17,19-20,22,24,32,34,37H,3-15,18,21,23H2,1-2H3,(H,33,38)(H,35,36)