Registration Dossier
Registration Dossier
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EC number: 932-231-6 | CAS number: 1335202-81-7
Reference substances
- IUPAC name:
- Benzenesulfonic acid, undecyl-, calcium salt
Inventory
Synonyms
Molecular and structural information
- Molecular formula:
- C34H54CaO6S2
- Molecular weight:
- ca. 663
- SMILES notation:
- CCCCCCC(CCCC)C1=CC=C(C=C1)S(=O)(=O)O[Ca]OS(=O)(=O)C1=CC=C(C=C1)C(CCCC)CCCCCC
- InChl:
- InChI=1/2C17H28O3S.Ca/c2*1-3-5-7-8-10-15(9-6-4-2)16-11-13-17(14-12-16)21(18,19)20;/h2*11-15H,3-10H2,1-2H3,(H,18,19,20);/q;;+2/p-2
AuxInfo=1/1/N:43,6,41,5,9,4,8,7,3,1,11,15,12,14,2,10,13,31,32,33,30;42,21,40,20,24,19,23,22,18,16,26,29,27,28,17,25,36,35,38,39,37;34/E:2*(11,12)(13,14)(18,19,20);/CRV:2*21.6;/rA:43CCCCCCCCCCCCCCCCCCCCCCCCCCCCCSOOOCaOCSOOCCCC/rB:s1;s2;s3;s4;s5;s1;s7;s8;s2;s10;d11;s12;d13;d10s14;;s16;s17;s18;s19;s20;s16;s22;s23;s17;s25;d26;;d25s28;s13;d30;d30;s30;s33;s34;s27d28;s35s36;d37;d37;s24;s9;s40;s41;/rC:111.1199,31.2665,0;110.3475,32.5988,0;111.115,33.9339,0;112.655,33.9367,0;113.4225,35.2718,0;114.9625,35.2747,0;112.6599,31.2694,0;113.4324,29.9371,0;114.9724,29.94,0;108.8075,32.5959,0;108.04,31.2608,0;106.5,31.2579,0;105.7275,32.5902,0;106.495,33.9253,0;108.035,33.9281,0;92.6301,36.5668,0;93.4025,35.2346,0;92.635,33.8995,0;91.095,33.8966,0;90.3275,32.5615,0;88.7875,32.5586,0;91.0901,36.564,0;90.3176,37.8962,0;88.7776,37.8933,0;94.9425,35.2375,0;95.71,36.5726,0;97.25,36.5754,0;97.255,33.9081,0;95.715,33.9052,0;104.1875,32.5873,0;104.1846,34.1273,0;104.1903,31.0473,0;102.6475,32.5844,0;101.875,33.9167,0;101.1025,35.2489,0;98.0225,35.2432,0;99.5625,35.246,0;99.5597,36.786,0;99.5654,33.7061,0;88.0051,39.2256,0;115.7449,28.6078,0;86.4651,39.2227,0;117.2849,28.6106,0; - Structural formula:
Related substances
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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