Cas no 142-15-4 (9-Octadecenoic acid(9Z)-, 2-sulfoethyl ester, sodium salt (1:1))
142-15-4 structure
Product Name:9-Octadecenoic acid(9Z)-, 2-sulfoethyl ester, sodium salt (1:1)
CAS No:142-15-4
MF:C20H37NaO5S
MW:412.559556722641
CID:215564
Update Time:2025-04-19
9-Octadecenoic acid(9Z)-, 2-sulfoethyl ester, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
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- 9-Octadecenoic acid(9Z)-, 2-sulfoethyl ester, sodium salt (1:1)
- sodium,2-[(Z)-octadec-9-enoyl]oxyethanesulfonate
- 2-Sulfoethyl 9-octadecenoate, sodium salt
- 2-SULFOETHYL OLEATE SODIUM SALT
- 2-Sulfoethyl-oleat-Na-Salz
- 9-Octadecenoic acid (Z)-, 2-sulfoethyl ester, sodium salt
- AI3-00358
- EINECS 205-522-4
- Oleic acid, 2-sulfoethyl ester, sodium salt
- sodium 2-sulfonatoethyl oleate
- Sodium 2-sulphonatoethyl oleate
- Sodium oleoyl isethionate
- UNII-216KS77J4M
- Natrium-2-sulfonatoethyloleat
- sodiumoleoylisethionate
- 9-Octadecenoic acid(Z)-,2-sulfoethyl ester,sodium salt
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- Inchi： 1S/C20H38O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)25-18-19-26(22,23)24;/h9-10H,2-8,11-19H2,1H3,(H,22,23,24);/q;+1/p-1/b10-9-;
- InChI Key： MCFLGJDKSROECH-KVVVOXFISA-M
- SMILES： [Na+].C(OCCS([O-])(=O)=O)(=O)CCCCCCC/C=C\CCCCCCCC
Computed Properties
- Exact Mass: 412.22611
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 19
- Complexity: 458
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
Experimental Properties
- PSA: 83.5
9-Octadecenoic acid(9Z)-, 2-sulfoethyl ester, sodium salt (1:1) Related Literature
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Debraj Saha,Tanmoy Maity,Soma Das,Subratanath Koner Dalton Trans. 2013 42 13912
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2. Three isomeric hydride compounds formed by protonation of decacarbonyl-bis(dimethylphenylphosphine)triosmium and the X-ray structures of two of these: 1,1- and 1,2-[Os3H(CO)10(PMe2Ph)2][PF6]Antony J. Deeming,Susan Donovan-Mtunzi,Shariff E. Kabir,Michael B. Hursthouse,K. M. Abdul Malik,Nigel P. C. Walker J. Chem. Soc. Dalton Trans. 1987 1869
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3. Chemistry of polynuclear metal complexes with bridging carbene or carbyne ligands. Part 59. Reactions of the alkylidyne compounds [M(CR)(CO)2{HB(pz)3}][M = Cr, Mo, or W, R = C6H4Me-4; M = W, R = Me, HB(pz)3= hydrotris(pyrazol-1-yl)borate] with d 10 complexes; crystal structure of [PtW2(μ-CMe)2(CO)4{HB(pz)3}2]Sigurd H. F. Becke,M. Dolores Bermúdez,N. Hoa Tran-Huy,Judith A. K. Howard,Owen Johnson,F. Gordon A. Stone 10 complexes; crystal structure of [PtW2(μ-CMe)2(CO)4{HB(pz)3}2]. Sigurd H. F. Becke M. Dolores Bermúdez N. Hoa Tran-Huy Judith A. K. Howard Owen Johnson F. Gordon A. Stone J. Chem. Soc. Dalton Trans. 1987 1229
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J. J. Daly,P. J. Wheatley J. Chem. Soc. A 1967 212
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5. Crystal structure of cordialin a acetate, an unusual dammarane triterpene hemiacetalKay D. Onan,David Lavie,Vincent Vande Velde,Raymond Zelnik J. Chem. Soc. Perkin Trans. 1 1985 323
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