2-[1-[3-(hexadecylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]oxypropan-2-ylsulfanyl]propanedioic acid

Systemtic Name: 2-[1-[3-(hexadecylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]oxypropan-2-ylsulfanyl]propanedioic acid Openeye Name: 2-[2-[[3-(hexadecylcarbamoyl)-4-hydroxy-1-naphthyl]oxy]-1-methyl-ethyl]sulfanylpropanedioic acid CAS Name: 2-[1-[[3-[(hexadecylamino)-oxomethyl]-4-hydroxy-1-naphthalenyl]oxy]propan-2-ylthio]propanedioic acid IUPAC Name: 2-[1-[3-(hexadecylcarbamoyl)-4-hydroxynaphthalen-1-yl]oxypropan-2-ylsulfanyl]propanedioic acid Traditional Name: 2-[[2-[3-(cetylcarbamoyl)-4-hydroxy-1-naphthoxy]-1-methyl-ethyl]thio]malonic acid Formula: C33H49NO7S MolecularWeight: 603.80966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)OCC(C)SC(C(=O)O)C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)OCC(C)SC(C(=O)O)C(=O)O)O

InChI

InChI=1S/C33H49NO7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-34-31(36)27-22-28(25-19-16-17-20-26(25)29(27)35)41-23-24(2)42-30(32(37)38)33(39)40/h16-17,19-20,22,24,30,35H,3-15,18,21,23H2,1-2H3,(H,34,36)(H,37,38)(H,39,40)