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Reference substances

Reference substances

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IUPAC name:
2-[({5-[(2-carboxycyclohexanecarbonyloxy)methyl]tricyclo[5.2.1.0²,⁶]decan-8-yl}methoxy)carbonyl]cyclohexane-1-carboxylic acid; 2-[({8-[(2-carboxycyclohexanecarbonyloxy)methyl]tricyclo[5.2.1.0²,⁶]decan-4-yl}methoxy)carbonyl]cyclohexane-1-carboxylic acid

Inventory

EC number:
407-410-2
EC name:
4,7-methanooctahydro-1H-indene-diyldimethyl bis(2-carboxybenzoate)
CAS number:
-
Description:
TCD EMULGATOR
Synonyms
Names:
Reaction mass of tricyclo[5.2.1.0{2,6}]decane-4,8-diyldimethyl-bis(hexahydromonophtalate), tricyclo[5.2.1.0{2,6}]decane-4,9-diyldimethyl-bis(hexahydromonophtalate), tricyclo[5.2.1.0{2,6}]decane-3,8-diyldimethyl-bis(hexahydromonophtalate) tricyclo[5.2.1.0{2,6}]decane-3,9-diyldimethyl-bis(hexahydromonophtalate)

Molecular and structural information

Molecular formula:
C28H40O8
Molecular weight:
ca. 504.6
SMILES notation:
O=C(O)[C@H]1CCCC[C@@H]1C(=O)OCC2CC5C(C2)C4CC(COC(=O)[C@H]3CCCC[C@@H]3C(=O)O)C5C4;
O=C(O)[C@H]1CCCC[C@@H]1C(=O)OCC2CC5C(C2)C4CC(COC(=O)[C@@H]3CCCC[C@H]3C(=O)O)C5C4;
O=C(O)[C@H]1CCCC[C@@H]1C(=O)OCC4CCC5C3CC(CC3COC(=O)[C@@H]2CCCC[C@H]2C(=O)O)C45;
O=C(O)[C@H]1CCCC[C@@H]1C(=O)OCC4CCC5C3CC(COC(=O)[C@@H]2CCCC[C@H]2C(=O)O)C(C3)C45
InChl:
InChI=1/C28H40O8/c29-25(30)18-5-1-3-7-20(18)27(33)35-13-15-9-22-16-11-17(23(12-16)24(22)10-15)14-36-28(34)21-8-4-2-6-19(21)26(31)32/h15-24H,1-14H2,(H,29,30)(H,31,32)/t15?,16?,17?,18-,19-,20-,21-,22?,23?,24?/m0/s1;
InChI=1/C28H40O8/c29-25(30)18-5-1-3-7-20(18)27(33)35-13-15-9-22-16-11-17(23(12-16)24(22)10-15)14-36-28(34)21-8-4-2-6-19(21)26(31)32/h15-24H,1-14H2,(H,29,30)(H,31,32)/t15?,16?,17?,18-,19+,20-,21+,22?,23?,24?/m0/s1;
InChI=1/C28H40O8/c29-25(30)19-5-1-3-7-21(19)27(33)35-13-15-9-10-18-23-12-16(24(15)18)11-17(23)14-36-28(34)22-8-4-2-6-20(22)26(31)32/h15-24H,1-14H2,(H,29,30)(H,31,32)/t15?,16?,17?,18?,19-,20+,21-,22+,23?,24?/m0/s1;
InChI=1/C28H40O8/c29-25(30)19-5-1-3-7-21(19)27(33)35-13-15-9-10-18-16-11-17(23(12-16)24(15)18)14-36-28(34)22-8-4-2-6-20(22)26(31)32/h15-24H,1-14H2,(H,29,30)(H,31,32)/t15?,16?,17?,18?,19-,20+,21-,22+,23?,24?/m0/s1
Structural formula:
Chemical structure

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