methane; octadecyl 3-[4-bis[2-cyclohexyl-4-(3-octadecoxy-3-oxidanylidene-propyl)phenoxy]phosphanyloxy-3-cyclohexyl-phenyl]propanoate

Systemtic Name: methane; octadecyl 3-[4-bis[2-cyclohexyl-4-(3-octadecoxy-3-oxidanylidene-propyl)phenoxy]phosphanyloxy-3-cyclohexyl-phenyl]propanoate Openeye Name: methane; octadecyl 3-[4-bis[2-cyclohexyl-4-(3-octadecoxy-3-oxo-propyl)phenoxy]phosphanyloxy-3-cyclohexyl-phenyl]propanoate CAS Name: 3-[4-bis[2-cyclohexyl-4-(3-octadecoxy-3-oxopropyl)phenoxy]phosphinooxy-3-cyclohexylphenyl]propanoic acid octadecyl ester; methane IUPAC Name: methane; octadecyl 3-[4-bis[2-cyclohexyl-4-(3-octadecoxy-3-oxopropyl)phenoxy]phosphanyloxy-3-cyclohexylphenyl]propanoate Traditional Name: 3-[4-bis[2-cyclohexyl-4-(3-keto-3-stearyloxy-propyl)phenoxy]phosphinooxy-3-cyclohexyl-phenyl]propionic acid stearyl ester; methane Formula: C100H169O9P MolecularWeight: 1546.380221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C.CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)CCC(=O)OCCCCCCCCCCCCCCCCCC)C3CCCCC3)OC4=C(C=C(C=C4)CCC(=O)OCCCCCCCCCCCCCCCCCC)C5CCCCC5)C6CCCCC6

Isomeric SMILES

C.CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)CCC(=O)OCCCCCCCCCCCCCCCCCC)C3CCCCC3)OC4=C(C=C(C=C4)CCC(=O)OCCCCCCCCCCCCCCCCCC)C5CCCCC5)C6CCCCC6

InChI

InChI=1S/C99H165O9P.CH4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-58-79-103-97(100)76-70-85-67-73-94(91(82-85)88-61-52-49-53-62-88)106-109(107-95-74-68-86(83-92(95)89-63-54-50-55-64-89)71-77-98(101)104-80-59-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)108-96-75-69-87(84-93(96)90-65-56-51-57-66-90)72-78-99(102)105-81-60-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;/h67-69,73-75,82-84,88-90H,4-66,70-72,76-81H2,1-3H3;1H4