(4-nonylphenyl) 3-bis[[3-(4-nonylphenoxy)-3-oxidanylidene-propyl]sulfanyl]phosphinothioyloxypropanoate

Systemtic Name: (4-nonylphenyl) 3-bis[[3-(4-nonylphenoxy)-3-oxidanylidene-propyl]sulfanyl]phosphinothioyloxypropanoate Openeye Name: (4-nonylphenyl) 3-bis[[3-(4-nonylphenoxy)-3-oxo-propyl]sulfanyl]phosphinothioyloxypropanoate CAS Name: 3-bis[[3-(4-nonylphenoxy)-3-oxopropyl]thio]phosphinothioyloxypropanoic acid (4-nonylphenyl) ester IUPAC Name: (4-nonylphenyl) 3-bis[[3-(4-nonylphenoxy)-3-oxopropyl]sulfanyl]phosphinothioyloxypropanoate Traditional Name: 3-bis[[3-keto-3-(4-nonylphenoxy)propyl]thio]thiophosphoryloxypropionic acid (4-nonylphenyl) ester Formula: C54H81O7PS3 MolecularWeight: 969.385501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)OC(=O)CCOP(=S)(SCCC(=O)OC2=CC=C(C=C2)CCCCCCCCC)SCCC(=O)OC3=CC=C(C=C3)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)OC(=O)CCOP(=S)(SCCC(=O)OC2=CC=C(C=C2)CCCCCCCCC)SCCC(=O)OC3=CC=C(C=C3)CCCCCCCCC

InChI

InChI=1S/C54H81O7PS3/c1-4-7-10-13-16-19-22-25-46-28-34-49(35-29-46)59-52(55)40-43-58-62(63,64-44-41-53(56)60-50-36-30-47(31-37-50)26-23-20-17-14-11-8-5-2)65-45-42-54(57)61-51-38-32-48(33-39-51)27-24-21-18-15-12-9-6-3/h28-39H,4-27,40-45H2,1-3H3