2-[2-[3-(hexylcarbamoyl)naphthalen-1-yl]oxyethylsulfanyl]tetradecanoic acid

Systemtic Name: 2-[2-[3-(hexylcarbamoyl)naphthalen-1-yl]oxyethylsulfanyl]tetradecanoic acid Openeye Name: 2-[2-[[3-(hexylcarbamoyl)-1-naphthyl]oxy]ethylsulfanyl]tetradecanoic acid CAS Name: 2-[2-[[3-[(hexylamino)-oxomethyl]-1-naphthalenyl]oxy]ethylthio]tetradecanoic acid IUPAC Name: 2-[2-[3-(hexylcarbamoyl)naphthalen-1-yl]oxyethylsulfanyl]tetradecanoic acid Traditional Name: 2-[2-[3-(hexylcarbamoyl)-1-naphthoxy]ethylthio]myristic acid Formula: C33H51NO4S MolecularWeight: 557.82734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)O)SCCOC1=CC(=CC2=CC=CC=C21)C(=O)NCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)O)SCCOC1=CC(=CC2=CC=CC=C21)C(=O)NCCCCCC

InChI

InChI=1S/C33H51NO4S/c1-3-5-7-9-10-11-12-13-14-15-21-31(33(36)37)39-24-23-38-30-26-28(25-27-19-16-17-20-29(27)30)32(35)34-22-18-8-6-4-2/h16-17,19-20,25-26,31H,3-15,18,21-24H2,1-2H3,(H,34,35)(H,36,37)