2-oxidanyl-2-phosphoroso-2-(1-sulfanylpropoxy)ethanoic acid; 2-phenyl-3-propyl-pentadecane-1-thiol

Systemtic Name: 2-oxidanyl-2-phosphoroso-2-(1-sulfanylpropoxy)ethanoic acid; 2-phenyl-3-propyl-pentadecane-1-thiol Openeye Name: 2-hydroxy-2-phosphoroso-2-(1-sulfanylpropoxy)acetic acid; 2-phenyl-3-propyl-pentadecane-1-thiol CAS Name: 2-hydroxy-2-(1-mercaptopropoxy)-2-phosphorosoacetic acid; 2-phenyl-3-propyl-1-pentadecanethiol IUPAC Name: 2-hydroxy-2-phosphoroso-2-(1-sulfanylpropoxy)acetic acid; 2-phenyl-3-propylpentadecane-1-thiol Traditional Name: 2-hydroxy-2-(1-mercaptopropoxy)-2-phosphoroso-acetic acid; 2-phenyl-3-propyl-pentadecane-1-thiol Formula: C29H51O5PS2 MolecularWeight: 574.816001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCC)C(CS)C1=CC=CC=C1.CCC(OC(C(=O)O)(O)P=O)S

Isomeric SMILES

CCCCCCCCCCCCC(CCC)C(CS)C1=CC=CC=C1.CCC(OC(C(=O)O)(O)P=O)S

InChI

InChI=1S/C24H42S.C5H9O5PS/c1-3-5-6-7-8-9-10-11-12-14-18-22(17-4-2)24(21-25)23-19-15-13-16-20-23;1-2-3(12)10-5(8,11-9)4(6)7/h13,15-16,19-20,22,24-25H,3-12,14,17-18,21H2,1-2H3;3,8,12H,2H2,1H3,(H,6,7)