Polyoxyl 35 castor oil

Catalog Number	ACM61791126
CAS	61791-12-6
Synonyms	Cremophor EL
IUPAC Name	2-[1,3-Bis[2-[(Z)-11-hydroxyheptadec-8-enoxy]carbonyloxyethoxy]propan-2-yloxy]ethyl [(Z)-11-hydroxyheptadec-8-enyl] carbonate
Molecular Weight	1113.6
Molecular Formula	C63H116O15
Canonical SMILES	CCCCCCC(CC=CCCCCCCCOC(=O)OCCOCC(COCCOC(=O)OCCCCCCCC=CCC(CCCCCC)O)OCCOC(=O)OCCCCCCCC=CCC(CCCCCC)O)O
InChI	InChI=1S/C63H116O15/c1-4-7-10-31-40-57(64)43-34-25-19-13-16-22-28-37-46-73-61(67)76-51-49-70-55-60(72-53-54-78-63(69)75-48-39-30-24-18-15-21-27-36-45-59(66)42-33-12-9-6-3)56-71-50-52-77-62(68)74-47-38-29-23-17-14-20-26-35-44-58(65)41-32-11-8-5-2/h25-27,34-36,57-60,64-66H,4-24,28-33,37-56H2,1-3H3/b34-25-,35-26-,36-27-
InChI Key	LXZHFNATOMRESM-AAKVHIHISA-N
Complexity	1310
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	1112.83142299
Heavy Atom Count	78
Hydrogen Bond Acceptor Count	15
Hydrogen Bond Donor Count	3
Isomeric SMILES	CCCCCCC(O)C/C=C\CCCCCCCOC(=O)OCCOCC(OCCOC(=O)OCCCCCCC/C=C\CC(O)CCCCCC)COCCOC(=O)OCCCCCCC/C=C\CC(O)CCCCCC
Monoisotopic Mass	1112.83142299
Physical State	Viscous liquid
Rotatable Bond Count	65
Topological Polar Surface Area	195 Ų

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Polyoxyl 35 castor oil (61791-12-6)

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