4-[3-(hexadecylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]oxybutanethioic S-acid

Systemtic Name: 4-[3-(hexadecylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]oxybutanethioic S-acid Openeye Name: 4-[[3-(hexadecylcarbamoyl)-4-hydroxy-1-naphthyl]oxy]butanethioic S-acid CAS Name: 4-[[3-[(hexadecylamino)-oxomethyl]-4-hydroxy-1-naphthalenyl]oxy]butanethioic S-acid IUPAC Name: 4-[3-(hexadecylcarbamoyl)-4-hydroxynaphthalen-1-yl]oxybutanethioic S-acid Traditional Name: 4-[3-(cetylcarbamoyl)-4-hydroxy-1-naphthoxy]thiobutyric acid Formula: C31H47NO4S MolecularWeight: 529.77418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)OCCCC(=O)S)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)OCCCC(=O)S)O

InChI

InChI=1S/C31H47NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-32-31(35)27-24-28(36-23-18-21-29(33)37)25-19-15-16-20-26(25)30(27)34/h15-16,19-20,24,34H,2-14,17-18,21-23H2,1H3,(H,32,35)(H,33,37)