2-methoxy-3-(9-phenyloctadecylsulfanyl)propan-1-ol; phosphoric acid

Systemtic Name: 2-methoxy-3-(9-phenyloctadecylsulfanyl)propan-1-ol; phosphoric acid Openeye Name: 2-methoxy-3-(9-phenyloctadecylsulfanyl)propan-1-ol; phosphoric acid CAS Name: 2-methoxy-3-(9-phenyloctadecylthio)-1-propanol; phosphoric acid IUPAC Name: 2-methoxy-3-(9-phenyloctadecylsulfanyl)propan-1-ol; phosphoric acid Traditional Name: 2-methoxy-3-(9-phenyloctadecylthio)propan-1-ol; phosphoric acid Formula: C28H53O6PS MolecularWeight: 548.755581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCCSCC(CO)OC)C1=CC=CC=C1.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCCSCC(CO)OC)C1=CC=CC=C1.OP(=O)(O)O

InChI

InChI=1S/C28H50O2S.H3O4P/c1-3-4-5-6-7-10-14-19-26(27-21-16-13-17-22-27)20-15-11-8-9-12-18-23-31-25-28(24-29)30-2;1-5(2,3)4/h13,16-17,21-22,26,28-29H,3-12,14-15,18-20,23-25H2,1-2H3;(H3,1,2,3,4)